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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | NAMPT | P43490 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | KDM4A | O75164 | 1/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | AKT1 | P31749 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3838871 | 0.97 | CA12 (0.63) | CA12CA1CA7CA14NAMPT | |
| Acetic Acid Methyl Ester SCHEMBL8138995 | 0.94 | CA12 (0.57) | CA12CA1CA7CA14NAMPT | |
| Acetaldehyde SCHEMBL3344850 | 0.90 | CA12 (0.57) | CA12CA1CA7CA14NAMPT | |
| Propionic Acid SCHEMBL8139542 | 0.90 | CA12 (0.61) | CA12CA1CA7CA14NAMPT | |
| SCHEMBL28466072 | 0.88 | SYK (0.56) | CA12CA1CA7CA14NAMPT | |
| Propionamide SCHEMBL8144889 | 0.88 | CA12 (0.55) | CA12CA1CA7CA14NAMPT | |
| SCHEMBL3180689 | 0.88 | L3MBTL1 (0.61) | CA12CA1CA7CA14NAMPT | |
| SCHEMBL1691047 | 0.87 | HDAC1 (0.67) | CA12CA1CA7CA14NAMPT | |
| Acetic Acid SCHEMBL8138998 | 0.87 | SMN1; SMN2 (0.53) | CA12CA1CA7CA14NAMPT | |
| SCHEMBL14485285 | 0.86 | SYK (0.62) | CA12CA1CA7CA14NAMPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214833-B1 | MADE BY ACYLATION | ZAMBON GROUP S.P.A. (IT) | 2001-04-10 | — | — | US | disclosed |
| EP-0970075-A1 | PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY | ZAMBON GROUP S.p.A. (IT) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998043972-A1 | PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY | ZAMBON GROUP S.P.A. (IT) | 1998-10-08 | — | — | WO | disclosed |