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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | ACR | P10323 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | PLAT | P00750 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9835889 | 0.97 | KMT2A (0.44) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| SCHEMBL7319785 | 0.86 | KMT2A (0.46) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| SCHEMBL7319794 | 0.84 | KMT2A (0.50) | KMT2AMEN1SMN1; SMN2PRSS1ACR | |
| Acetic Acid SCHEMBL7307745 | 0.82 | KMT2A (0.47) | KMT2AMEN1SMN1; SMN2PRSS1ACR | |
| SCHEMBL7340814 | 0.82 | KMT2A (0.44) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| Acetic Acid SCHEMBL10465566 | 0.82 | CA12 (0.38) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| SCHEMBL7319782 | 0.80 | KMT2A (0.46) | KMT2AMEN1SMN1; SMN2PRSS1ACR | |
| SCHEMBL9584464 | 0.79 | ALDH1A1 (0.45) | KMT2AMEN1SMN1; SMN2CA12CA1 | |
| SCHEMBL9689310 | 0.79 | PPARG (0.50) | KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL9689305 | 0.79 | PPARG (0.50) | KMT2AMEN1SMN1; SMN2LMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5376655-A | Elastase inhibitor | ONO PHARMACEUTICAL CO., LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| US-5247084-A | Inhibitors of elastase | ONO PHARMACEUTICAL CO., LTD. (JP) | 1993-09-21 | — | — | US | disclosed |
| US-5077428-A | Antiinflammatory agents | ONO PHARMACEUTICAL CO., LTD. (JP) | 1991-12-31 | — | — | US | disclosed |
| EP-0222608-B1 | DERIVATIVES OF P-GUANIDINOBENZOIC ACID AND PHARMACEUTICAL AGENTS CONTAINING THEM AS ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 1991-09-11 | — | — | EP | disclosed |
| US-4975464-A | ADMINISTERING DERIVATIVES OF P-GUANIDINOBENZOIC ACID | IMAKI KATSUHIRO (JP) | 1990-12-04 | — | — | US | disclosed |
| US-4843094-A | ELASTASE INHIBITOR | ONO PHARMACEUTICAL CO., LTD. (JP) | 1989-06-27 | — | — | US | disclosed |
| EP-0222608-A2 | Derivatives of p-guanidinobenzoic acid and pharmaceutical agents containing them as active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 1987-05-20 | — | — | EP | disclosed |