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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.42 |
| ▸ | ADH1B | P00325 | 1/20 | 0.39 |
| ▸ | ADH1C | P00326 | 1/20 | 0.39 |
| ▸ | ADH1A | P07327 | 1/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | ADH7 | P40394 | 1/20 | 0.39 |
| ▸ | CASP2 | P42575 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27414590 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL25634930 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL8470713 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL8473674 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL29090473 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL9244555 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL8470770 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL10964171 | 0.89 | TSHR (0.59) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| SCHEMBL7575686 | 0.88 | PAOX (0.51) | PAOXALDH1A1TSHRS1PR2S1PR4 | |
| Fluoride SCHEMBL17359722 | 0.87 | TSHR (0.56) | PAOXALDH1A1TSHRS1PR2S1PR4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120167451-A1 | PYROLYSIS OIL BASED FUEL AND METHOD OF PRODUCTION | NEW GENERATION BIOFUELS HOLDINGS, INC. (US) | 2012-07-05 | — | — | US | disclosed |
| US-20100037513-A1 | Biofuel Composition and Method of Producing a Biofuel | NEW GENERATION BIOFUELS, INC. (US) | 2010-02-18 | — | — | US | disclosed |
| US-5992354-A | Combustion of nanopartitioned fuel | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-11-30 | — | — | US | disclosed |
| WO-1997003279-A9 | COMBUSTION OF NANOPARTITIONED FUEL | — | 1997-03-06 | — | — | WO | disclosed |
| WO-1997003279-A1 | COMBUSTION OF NANOPARTITIONED FUEL | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1997-01-30 | — | — | WO | disclosed |