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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL2352060 | 0.92 | RIPK1 (0.57) | RIPK1TRPA1TAAR1AOC3 | |
| SCHEMBL190949 | 0.89 | RIPK1 (0.59) | RIPK1TRPA1TAAR1AOC3 | |
| Hypochlorous Acid SCHEMBL11417734 | 0.88 | RIPK1 (0.53) | RIPK1TRPA1TAAR1AOC3 | |
| Ammonia Solution, Strong SCHEMBL6014394 | 0.87 | RIPK1 (0.57) | RIPK1TRPA1TAAR1AOC3 | |
| SCHEMBL10888760 | 0.87 | RIPK1 (0.46) | RIPK1TRPA1TAAR1POLBAOC3 | |
| Phosphoric Acid SCHEMBL27969322 | 0.86 | RIPK1 (0.48) | RIPK1TRPA1TAAR1POLBAOC3 | |
| SCHEMBL270135 | 0.84 | RIPK1 (0.50) | RIPK1TRPA1TAAR1MTNR1AMTNR1B | |
| SCHEMBL6694232 | 0.83 | RIPK1 (0.46) | RIPK1TRPA1TAAR1POLBMEN1 | |
| SCHEMBL7154172 | 0.82 | ALDH1A1 (0.51) | — | |
| SCHEMBL8673121 | 0.82 | RIPK1 (0.52) | RIPK1TRPA1TAAR1 |
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-4623736-A | INTERMEDIATES FOR ANALGESICS | THE UPJOHN COMPANY (US) | 1986-11-18 | — | — | US | disclosed |