Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 14/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 13/20 | 0.61 |
| ▸ | ITGA2B | P08514 | 10/20 | 0.61 |
| ▸ | ITGB1 | P05556 | 12/20 | 0.53 |
| ▸ | ITGA5 | P08648 | 12/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6495549 | 0.98 | ITGAV (0.63) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL6504876 | 0.90 | ITGAV (0.54) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL6504828 | 0.90 | ITGAV (0.52) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL6495564 | 0.83 | ITGAV (0.55) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL8168274 | 0.80 | ITGB3 (0.63) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL8168263 | 0.80 | ITGB3 (0.63) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL7403221 | 0.76 | ITGB3 (1.00) | ITGAVITGB3ITGA2B | |
| SCHEMBL6504886 | 0.76 | ITGAV (0.47) | ITGAVITGB3ITGA2BITGB1ITGA5 | |
| SCHEMBL4204480 | 0.74 | ITGB3 (1.00) | ITGAVITGB3ITGA2B | |
| SCHEMBL7985892 | 0.74 | ITGAV (0.78) | ITGAVITGB3ITGA2BITGB1ITGA5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960594-B2 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | SHIRE BIOCHEM INC. (CA) | 2005-11-01 | — | — | US | claimed |
| US-6960594-B2 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | SHIRE BIOCHEM INC. (CA) | 2005-11-01 | — | — | US | disclosed |
| EP-1091952-B1 | THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER | IAF BIOCHEM INT (CA) | 2003-10-29 | — | — | EP | disclosed |
| US-20020137947-A1 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | BIOCHEM PHARMA INC. | 2002-09-26 | — | — | US | disclosed |
| EP-1091952-A1 | THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER | BIOCHEM PHARMA INC (CA) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000000486-A1 | THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER | BIOCHEM PHARMA INC. (US) | 2000-01-06 | — | — | WO | 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-20020137947-A1 | Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer | ITGB5, ITGB2, ITGA2 | ITGAV 7/4885ITGB3 12/4885ITGA2B 10/4885 |
“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.