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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27658450 | 0.80 | ACHE (0.47) | CA1ACHEALOX12CHRM2CA12 | |
| Acetic Acid SCHEMBL11588216 | 0.77 | CA12 (0.53) | CA1ALDH1A1CA12CA2MEN1 | |
| Acetic Acid SCHEMBL10380814 | 0.76 | CA12 (0.78) | CA12CA2KDM4ECYP2D6 | |
| SCHEMBL28094939 | 0.74 | HSP90AA1 (0.47) | CA1ACHENPC1RAB9AALDH1A1 | |
| SCHEMBL573718 | 0.73 | GABRA1 (0.70) | CA1ACHEALOX12NPC1RAB9A | |
| Acetic Acid SCHEMBL27380495 | 0.72 | NPC1 (0.50) | NPC1RAB9ACHRM2ALDH1A1KDM4E | |
| SCHEMBL71912 | 0.72 | AKR1B1 (0.59) | HSP90AA1 | |
| SCHEMBL5940285 | 0.71 | FOLH1 (0.58) | NPC1RAB9ACHRM2ALDH1A1KDM4E | |
| Acetic Acid SCHEMBL11588262 | 0.71 | CA2 (0.56) | CA1ALOX12ALDH1A1CA12CA2 | |
| SCHEMBL3692007 | 0.70 | CA1 (0.48) | CA1ACHEALOX12NPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4091088-A | Phenolic amino-carboxylic acid complexes for forming radiopharmaceuticals | AUSTRALIAN ATOMIC ENERGY COMMISSION (AU) | 1978-05-23 | — | — | US | disclosed |
| US-4088747-A | Phenolic amino-carboxylic acid radiopharmaceuticals | AUSTRALIAN ATOMIC ENERGY COMMISSION (AU) | 1978-05-09 | — | — | US | disclosed |