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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 SCHEMBL9738028 | 0.94 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL26742 | 0.94 | ALDH1A1 (0.56) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL2103330 | 0.94 | ALDH1A1 (0.56) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL992236 | 0.94 | ALDH1A1 (0.56) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Acetic Acid SCHEMBL28088431 | 0.92 | NAAA (0.52) | ALDH1A1HCAR2TSHRNAAAMAPT | |
| Acetic Acid SCHEMBL19023373 | 0.92 | NAAA (0.52) | ALDH1A1HCAR2TSHRNAAAMAPT | |
| Acetic Acid SCHEMBL17363954 | 0.92 | NAAA (0.52) | ALDH1A1HCAR2TSHRNAAAMAPT | |
| Lactic Acid SCHEMBL8072613 | 0.92 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Ammonia Solution, Strong SCHEMBL11068070 | 0.91 | ALDH1A1 (0.54) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL28152340 | 0.91 | ALDH1A1 (0.54) | ALDH1A1ATMHCAR2TSHRHPGD |
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-5677112-A | USING AN ANTHRACENE COMPOUND | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| US-5576359-A | ANTHRACENE DERIVATIVE, SOLVENT, COMPOUND CONTAINING GLYCIDYL GROUPS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1996-11-19 | — | — | US | disclosed |