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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11005301 | 0.86 | ALDH1A1 (0.59) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL368479 | 0.86 | ALDH1A1 (0.59) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL31426431 | 0.86 | ALDH1A1 (0.59) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL1749312 | 0.84 | ALDH1A1 (0.55) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL23554801 | 0.80 | SMN1; SMN2 (0.50) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL29972822 | 0.75 | SMN1; SMN2 (0.43) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL31217608 | 0.74 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL31217583 | 0.74 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL31217551 | 0.74 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL31217616 | 0.74 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-3969368-A | 2-Substituted benzodioxoles | ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) | 1976-07-13 | — | — | US | disclosed |