Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | FYN | P06241 | 1/20 | 0.54 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.50 |
| ▸ | PPARG | P37231 | 7/20 | 0.50 |
| ▸ | PPARD | Q03181 | 7/20 | 0.50 |
| ▸ | PPARA | Q07869 | 7/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | TLR2 | O60603 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | FABP4 | P15090 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Pentane SCHEMBL6470499 | 1.00 | — | — | |
| Pentane SCHEMBL27453773 | 1.00 | TSHR (0.54) | TSHRLMNAFFAR3LCKFYN | |
| Pentane SCHEMBL28750380 | 0.96 | TSHR (0.50) | TSHRLMNAFFAR3LCKFYN | |
| Pentane SCHEMBL28221383 | 0.93 | CES1 (0.52) | TSHRLMNAFFAR3LCKFYN | |
| Hexane SCHEMBL18060000 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 | |
| Hexane SCHEMBL7487068 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 | |
| Hexane SCHEMBL6982515 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 | |
| Hexane SCHEMBL6562722 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 | |
| Hexane SCHEMBL8125919 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 | |
| Hexane SCHEMBL10688418 | 0.92 | AKR1B1 (0.61) | TSHRFFAR3LCKFYNAKR1B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4746908-A2 | USE OF IL-12 RELATED BIOMARKERS AND IL-12 SPECIFIC BLOCKING ANTIBODIES FOR THE TREATMENT OF AN AUTOIMMUNE DISEASE | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2026-05-27 | — | — | EP | disclosed |
| US-12358968-B2 | Utilization of CD39 and CD103 for identification of human tumor reactive T cells for treatment of cancer | PROVIDENCE HEALTH & SERVICES—OREGON (US) | 2025-07-15 | — | — | US | disclosed |
| WO-2025024237-A2 | USE OF IL-12 RELATED BIOMARKERS AND IL-12 SPECIFIC BLOCKING ANTIBODIES FOR THE TREATMENT OF AN AUTOIMMUNE DISEASE | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2025-01-30 | — | — | WO | disclosed |
| EP-4461825-A2 | TUMOR-INFILTRATING T-CELLS FOR USE IN THE TREATMENT OF CANCER | Providence Health & Services - Oregon (US) | 2024-11-13 | — | — | EP | disclosed |
| EP-3634584-B1 | TUMOR-INFILTRATING T-CELLS FOR USE IN THE TREATMENT OF CANCER | PROVIDENCE HEALTH & SERVICES OREGON (US) | 2024-09-18 | — | — | EP | disclosed |
| US-20240277842-A1 | CXCR5, PD-1, AND ICOS EXPRESSING TUMOR REACTIVE CD4 T CELLS AND THEIR USE | PROVIDENCE HEALTH & SERVICES - OREGON (US) | 2024-08-22 | — | — | US | disclosed |
| EP-4351595-A1 | CXCR5, PD-1, AND ICOS EXPRESSING TUMOR REACTIVE CD4 T CELLS AND THEIR USE | Providence Health & Services - Oregon (US) | 2024-04-17 | — | — | EP | disclosed |
| US-20230220340-A1 | UTILIZATION OF CD39 AND CD103 FOR IDENTIFICATION OF HUMAN TUMOR REACTIVE T CELLS FOR TREATMENT OF CANCER | PROVIDENCE HEALTH & SERVICES - OREGON (US) | 2023-07-13 | — | — | US | disclosed |
| US-11572541-B2 | Utilization of CD39 and CD103 for identification of human tumor reactive T cells for treatment of cancer | PROVIDENCE HEALTH & SERVICES—OREGON (US) | 2023-02-07 | — | — | US | disclosed |
| WO-2022261018-A1 | CXCR5, PD-1, AND ICOS EXPRESSING TUMOR REACTIVE CD4 T CELLS AND THEIR USE | PROVIDENCE HEALTH & SERVICES - OREGON (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2007030523-A2 | KINETIC BIOMARKER FOR QUANTIFICATION OF LYMPHOPROLIFERATION, CLONAL EXPANSION, RECRUITMENT AND TRAFFICKING IN LYMPHOID TISSUES AND OF THE IN VIVO ACTIONS OF ANTIGENS AND MODULATING AGENTS THEREON | KINEMED, INC. (US) | 2007-03-15 | — | — | WO | disclosed |
| EP-1759326-A2 | MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-03-07 | — | — | EP | disclosed |
| US-20060204439-A1 | Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-09-14 | — | — | US | disclosed |
| EP-1663319-A2 | METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL | The Regents of the University of California (US) | 2006-06-07 | — | — | EP | disclosed |
| US-20060020440-A1 | Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-01-26 | — | — | US | disclosed |
| WO-2005081943-A2 | MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005033652-A2 | METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-04-14 | — | — | WO | disclosed |
| WO-2005015155-A2 | METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2005009597-A2 | METHODS FOR COMPARING RELATIVE FLUX RATES OF TWO OR MORE BIOLOGICAL MOLECULES IN VIVO THROUGH A SINGLE PROTOCOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-02-03 | — | — | WO | disclosed |
| US-20050019251-A1 | Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2005-01-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060204439-A1 | Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol | FABP1, SLC35B2, SLC10A1 | ESR1 2985/4885TSHR 443/4885LMNA 3952/4885 |
| US-20050019251-A1 | Methods for comparing relative flux rates of two or more biological molecules in vivo through a single protocol | FABP1, SLC35B2, SLC10A1 | ESR1 2985/4885TSHR 443/4885LMNA 3952/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.