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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL627031 | 0.89 | SMN1; SMN2 (0.64) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL7166779 | 0.88 | SMN1; SMN2 (0.62) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL16511583 | 0.81 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| Acetic Acid SCHEMBL21523299 | 0.81 | PTGS1 (0.55) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL27460110 | 0.80 | SMN1; SMN2 (0.59) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL5830687 | 0.79 | ALOX15 (0.55) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL15301165 | 0.79 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1MAPTPOLBCYP2C9 | |
| SCHEMBL16759768 | 0.78 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL24932778 | 0.78 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL797506 | 0.77 | SMN1; SMN2 (0.58) | SMN1; SMN2ALDH1A1TP53CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4100034-A1 | COMPOSITIONS COMPRISING EXTRACTS OF APLINIA AND OTHER PLANTS FOR IMPROVING JOINT HEALTH AND TREATING ARTHRITIS | Unigen, Inc. (US) | 2022-12-14 | — | — | EP | disclosed |
| WO-2021159042-A1 | COMPOSITIONS COMPRISING EXTRACTS OF APLINIA AND OTHER PLANTS FOR IMPROVING JOINT HEALTH AND TREATING ARTHRITIS | UNIGEN, INC. (US) | 2021-08-12 | — | — | WO | disclosed |