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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL731592 | 0.97 | TSHR (0.38) | TSHRFFAR3LCKFYNTP53 | |
| SCHEMBL9129538 | 0.79 | TSHR (0.39) | TSHR | |
| Acetic Acid SCHEMBL11308256 | 0.79 | TSHR (0.52) | TSHRFFAR3LCKFYNTP53 | |
| SCHEMBL9435536 | 0.79 | TP53 (0.38) | TSHRTP53CYP1A2GAACYP2C9 | |
| SCHEMBL526912 | 0.78 | TSHR (0.45) | TSHRTP53CYP1A2GAACYP2C9 | |
| SCHEMBL9842552 | 0.78 | TSHR (0.45) | TSHRTP53CYP1A2GAACYP2C9 | |
| Ammonia Solution, Strong SCHEMBL18138980 | 0.76 | TSHR (0.43) | TSHRTP53TDP1 | |
| Methyl Alcohol SCHEMBL28174876 | 0.76 | TSHR (0.43) | TSHRTP53TDP1 | |
| SCHEMBL1764859 | 0.76 | — | — | |
| SCHEMBL140866 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2764095-A1 | VARIANTS OF GLYCEROL DEHYDROGENASE HAVING D-LACTATE DEHYDROGENASE ACTIVITY AND USES THEREOF | University of Florida Research Foundation, Inc. (US) | 2014-08-13 | — | — | EP | disclosed |
| EP-2643452-A2 | ENGINEERING OF THERMOTOLERANT BACILLUS COAGULANS FOR PRODUCTION OF D(-)-LACTIC ACID | University of Florida Research Foundation, Inc. (US) | 2013-10-02 | — | — | EP | disclosed |
| WO-2013052604-A1 | VARIANTS OF GLYCEROL DEHYDROGENASE HAVING D-LACTATE DEHYDROGENASE ACTIVITY AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2013-04-11 | — | — | WO | disclosed |
| WO-2012071392-A2 | ENGINEERING OF THERMOTOLERANT BACILLUS COAGULANS FOR PRODUCTION OF D(-)-LACTIC ACID | UNIVERSITY OF FLORIDA RESEARCH (US) | 2012-05-31 | — | — | WO | disclosed |