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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 3/20 | 0.43 |
| ▸ | ADRA2C known ✓ | P18825 | 3/20 | 0.43 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 7/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 5/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL167589 | 0.87 | — | — | |
| Alanine SCHEMBL3261340 | 0.86 | ADRA2B (0.40) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| Azelaic Acid SCHEMBL787259 | 0.84 | ABCC4 (0.43) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| Ethylenediamine SCHEMBL14335529 | 0.80 | ADRA2B (0.47) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| SCHEMBL9815902 | 0.77 | RAD52 (0.41) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| Water SCHEMBL11766493 | 0.77 | ADRA1A (0.39) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| SCHEMBL7133362 | 0.76 | — | — | |
| Acetic Acid SCHEMBL54860 | 0.70 | HTR1D (0.48) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| Tolazoline SCHEMBL9221347 | 0.70 | TAAR1 (0.81) | NISCHADRA2BADRA2CADRA2AHTR1A | |
| Acetic Acid SCHEMBL11224888 | 0.70 | HTR1D (0.48) | NISCHADRA2BADRA2CADRA2AHTR1A |
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-4336129-A | AROMATIC OIL | NIPPON STEEL CHEMICAL CO., LTD. (JP) | 1982-06-22 | — | — | US | disclosed |
| US-4046773-A | Carbamoyl-imidazole derivative having pesticidal activity | NEHEZVEGYIPARI KUTATO INTEZET (HU) | 1977-09-06 | — | — | US | disclosed |