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 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 10/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 5/20 | 0.42 |
| ▸ | PPARD | Q03181 | 5/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL607219 | 0.94 | GPR84 (0.52) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Heptane SCHEMBL5168526 | 0.92 | GPR84 (0.56) | GPR84FFAR1PPARGPPARDPPARA | |
| Hexane SCHEMBL15796762 | 0.92 | GPR84 (0.50) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Pentane SCHEMBL6470499 | 0.87 | — | — | |
| Pentane SCHEMBL27453773 | 0.87 | TSHR (0.54) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Pentane SCHEMBL2343100 | 0.87 | TSHR (0.54) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Butyl Alcohol SCHEMBL28178551 | 0.87 | ALDH1A1 (0.55) | GPR84FFAR1AKR1B1CA2MAPK1 | |
| Hexane SCHEMBL2313913 | 0.87 | GPR84 (0.46) | GPR84FFAR1AKR1B1PPARGPPARD | |
| Hexane SCHEMBL5058979 | 0.85 | GPR84 (0.48) | GPR84FFAR1AKR1B1 | |
| Pentane SCHEMBL28750380 | 0.84 | TSHR (0.50) | GPR84FFAR1AKR1B1PPARGPPARD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3116854-B1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA ZRT (HU) | 2022-01-26 | — | — | EP | disclosed |
| US-20170037002-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | CHINOIN Gyógyszer és Vegyészeti Termékek Gyára Zrt. (HU) | 2017-02-09 | — | — | 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 (1 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-20170037002-A1 | NEW PROCESS FOR THE PREPARATION OF HIGH PURITY PROSTAGLANDINS | PTGES3, PTGER3, PTGES | ESR1 3528/4885GPR84 3300/4885FFAR1 1334/4885 |
“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.