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 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7774802 | 0.96 | KMT2A (0.46) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| Acetic Acid SCHEMBL7768750 | 0.94 | KMT2A (0.41) | KMT2AMEN1NPC1RAB9AHPGD | |
| Acetic Acid SCHEMBL7966187 | 0.91 | AOC1 (0.44) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL7774812 | 0.91 | CYP19A1 (0.48) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| SCHEMBL7238502 | 0.91 | CYP19A1 (0.48) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| Hydrochloric Acid SCHEMBL7242131 | 0.90 | CYP19A1 (0.50) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| Acetic Acid SCHEMBL7772587 | 0.89 | KMT2A (0.47) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| SCHEMBL7232844 | 0.86 | CYP19A1 (0.51) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| Acetic Acid SCHEMBL7774822 | 0.85 | KMT2A (0.48) | KMT2AMEN1NPC1RAB9ACYP19A1 | |
| Acetic Acid SCHEMBL7768793 | 0.85 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9AHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1119573-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2001-08-01 | — | — | EP | claimed |
| US-6177419-B1 | ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS | EUKARION, INC. | 2001-01-23 | — | — | US | claimed |
| WO-2000009512-A2 | BIPYRIDINE MANGANESE COMPLEXES | EUKARION, INC. (US) | 2000-02-24 | — | — | WO | claimed |
| US-6177419-B1 | ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS | EUKARION, INC. | 2001-01-23 | — | — | US | disclosed |