Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 6/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 SCHEMBL9426357 | 1.00 | TSHR (0.64) | TSHRLMNATDP1ALDH1A1THRB | |
| Pentane SCHEMBL8531440 | 1.00 | — | — | |
| Pentane SCHEMBL263747 | 0.95 | — | — | |
| Pentane SCHEMBL4347896 | 0.95 | TSHR (0.70) | TSHRLMNATDP1ALDH1A1THRB | |
| Pentane SCHEMBL3620138 | 0.95 | TSHR (0.70) | TSHRLMNATDP1ALDH1A1THRB | |
| Pentane SCHEMBL8737322 | 0.95 | TSHR (0.70) | TSHRLMNATDP1ALDH1A1THRB | |
| Hexane SCHEMBL366251 | 0.91 | TSHR (0.60) | TSHRLMNATDP1ALDH1A1THRB | |
| Hexane SCHEMBL1192319 | 0.91 | TSHR (0.60) | TSHRLMNATDP1ALDH1A1THRB | |
| Hexane SCHEMBL1615209 | 0.91 | TSHR (0.60) | TSHRLMNATDP1ALDH1A1THRB | |
| Pentane SCHEMBL2454203 | 0.87 | TSHR (0.58) | TSHRLMNATDP1ALDH1A1THRB |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7547722-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2009-06-16 | — | — | US | disclosed |
| EP-1543012-B1 | 6H-THIEN 2, 3-B]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | ASTRAZENECA AB (SE) | 2008-07-16 | — | — | EP | disclosed |
| US-20080045517-A1 | 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | US | disclosed |
| US-7268158-B2 | 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) | ASTRAZENECA AB (SE) | 2007-09-11 | — | — | US | disclosed |
| US-7132442-B2 | 6H-thieno[2, 3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) | ASTRAZENECA AB (SE) | 2006-11-07 | — | — | US | disclosed |
| US-20060235067-A1 | 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | ASTRAZENECA AB (SE) | 2006-10-19 | — | — | US | disclosed |
| US-20060004082-A1 | 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) | ASTRAZENECA (SE) | 2006-01-05 | — | — | US | disclosed |
| EP-1543012-A1 | 6H-THIEN 2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | AstraZeneca AB (SE) | 2005-06-22 | — | — | EP | disclosed |
| WO-2004018480-A1 | 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | ASTRAZENECA AB (SE) | 2004-03-04 | — | — | WO | disclosed |
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| US-4222944-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-09-16 | — | — | US | disclosed |
| US-4192809-A | USED A ANTIINFLAMMATORY, ANALGESIC, AND ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-03-11 | — | — | US | disclosed |
| US-4128649-A | ANTIALLERGEN | SANDOZ, INC. (US) | 1978-12-05 | — | — | US | disclosed |
| US-4097497-A | ANTIINFLAMMATORY, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1978-06-27 | — | — | US | disclosed |
| US-4054563-A | Process for the manufacture of spiro compounds of the steroid series | CIBA-GEIGY CORPORATION (US) | 1977-10-18 | — | — | US | disclosed |
| US-4022805-A | ANTIINFLAMMATORY, ANALGESIC, ANTIRHEUMATIC | HOFFMANN-LA ROCHE INC. (US) | 1977-05-10 | — | — | US | disclosed |
| US-3992437-A | Polyhydrophenanthrene derivatives | STERLING DRUG INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3939207-A | Method for preparing aldehydes | ESCHENMOSER ALBERT | 1976-02-17 | — | — | US | disclosed |
| US-3932482-A | CARDIOTONIC | STERLING DRUG INC. (US) | 1976-01-13 | — | — | US | disclosed |
| US-3931288-A | ANTIINFLAMMATORY, ANTIRHEUMATIC | HOFFMANN-LA ROCHE INC. (US) | 1976-01-06 | — | — | 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 (3 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-20060004082-A1 | 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) | GNRHR, PRLHR, GHRHR | THRB 53/4885MEN1 661/4885TSHR 15/4885 |
| US-20080045517-A1 | 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | GNRHR, PRLHR, GHRHR | THRB 61/4885MEN1 761/4885TSHR 20/4885 |
| US-20060235067-A1 | 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) | GNRHR, PRLHR, GHRHR | THRB 61/4885MEN1 761/4885TSHR 20/4885 |
“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.