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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.49 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.55 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5184189 | 0.95 | TSHR (0.67) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| SCHEMBL536025 | 0.95 | TSHR (0.71) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| SCHEMBL21986981 | 0.89 | TSHR (0.62) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| Diethyl Phthalate SCHEMBL2206814 | 0.86 | TSHR (0.88) | TSHRALDH1A1HSD17B10L3MBTL1KMT2A | |
| SCHEMBL16672525 | 0.85 | TSHR (0.62) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| SCHEMBL27898281 | 0.84 | L3MBTL1 (0.66) | TSHRALDH1A1HCRTR1L3MBTL1MEN1 | |
| SCHEMBL340937 | 0.84 | HTT (0.69) | TSHRALDH1A1HSD17B10L3MBTL1MEN1 | |
| SCHEMBL16674272 | 0.83 | TSHR (0.65) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| SCHEMBL1073658 | 0.83 | ALDH1A1 (0.71) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 | |
| SCHEMBL29141053 | 0.83 | TSHR (0.65) | TSHRALDH1A1HSD17B10HCRTR1TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2019097-A1 | Process for preparing (alphaS)-alpha-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine | Aurobindo Pharma Limited (IN) | 2009-01-28 | — | — | EP | disclosed |