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 | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
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 SCHEMBL29250276 | 0.80 | GAA (0.48) | NOTUMALDH1A1KDM4EGAAMAPT | |
| Bromide SCHEMBL10495111 | 0.68 | KDM4E (0.39) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL27539229 | 0.68 | CNR2 (0.43) | NOTUMALDH1A1KDM4EGAAMAPT | |
| SCHEMBL17792927 | 0.68 | POLB (0.42) | ALDH1A1KDM4EMAPTCYP3A4BRD4 | |
| SCHEMBL178983 | 0.67 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Lithium SCHEMBL31260774 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Iodide SCHEMBL354263 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Bromide SCHEMBL31722794 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Bromide SCHEMBL9328396 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Iodide SCHEMBL30935723 | 0.65 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAAMAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112538050-A | Preparation method of cellulose solution | 沧州硕金生物科技有限公司 | 2021-03-23 | — | — | CN | disclosed |