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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.68 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 SCHEMBL5642434 | 1.00 | ACHE (0.68) | ACHETEAD4ALDH1A1TDP1MAPT | |
| Carbamic Acid SCHEMBL11292721 | 0.90 | ACHE (0.68) | ACHETEAD4ALDH1A1TDP1MAPT | |
| Acetic Acid SCHEMBL7113664 | 0.89 | MAPT (0.53) | ACHEALDH1A1TDP1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL8968769 | 0.89 | MAPT (0.53) | ACHEALDH1A1TDP1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL2043001 | 0.89 | MAPT (0.53) | ACHEALDH1A1TDP1MAPTSMN1; SMN2 | |
| Urea SCHEMBL28744534 | 0.86 | ACHE (0.72) | ACHETEAD4ALDH1A1TDP1MAPT | |
| Methacrylic Acid SCHEMBL29875942 | 0.86 | ACHE (0.56) | ACHETEAD4ALDH1A1TDP1MAPT | |
| P-Xylene SCHEMBL2595392 | 0.86 | ALDH1A1 (0.63) | ACHEALDH1A1TDP1MAPTSMN1; SMN2 | |
| Maleic Acid SCHEMBL29876105 | 0.83 | ALDH1A1 (0.61) | ACHETEAD4ALDH1A1TDP1MAPT | |
| Butanone SCHEMBL28325194 | 0.83 | ACHE (0.59) | ACHETEAD4ALDH1A1TDP1MAPT |
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-4188349-A | Process for curing unsaturated polyesters utilizing novel initiators | ICI AMERICAS INC. (US) | 1980-02-12 | — | — | US | disclosed |
| US-4095019-A | N-SUBSTITUTED AROMATIC AMINO DIACETIC ACIDS | ICI AMERICAS INC. (US) | 1978-06-13 | — | — | US | disclosed |