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 | |
|---|---|---|---|---|
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
| ▸ | TUBB | P07437 | 1/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.55 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.55 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.55 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.55 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.55 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.55 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.55 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.55 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL103794 | 0.95 | TUBB4A (0.58) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL29377304 | 0.95 | TUBB4A (0.58) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Ammonia Solution, Strong SCHEMBL28339305 | 0.94 | TUBB4A (0.57) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Hydrochloric Acid SCHEMBL28263909 | 0.94 | TUBB4A (0.57) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Formic Acid SCHEMBL28633278 | 0.89 | TUBB4A (0.53) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| Acetic Acid SCHEMBL28248344 | 0.88 | ALDH1A1 (0.63) | MAPTTAS1R3TAS1R1NPC1KDM4E | |
| Pyridine SCHEMBL28511930 | 0.87 | CTNNB1 (0.50) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL30201504 | 0.82 | ALDH1A1 (0.64) | MAPTTAS1R3TAS1R1NPC1KDM4E | |
| SCHEMBL145507 | 0.82 | ALDH1A1 (0.64) | MAPTTAS1R3TAS1R1NPC1KDM4E | |
| Hydrochloric Acid SCHEMBL28263913 | 0.81 | ALDH1A1 (0.62) | MAPTTAS1R3TAS1R1NPC1KDM4E |
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-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |