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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | GSR | P00390 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | EPOR | P19235 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11906139 | 0.95 | LTA4H (0.44) | ATML3MBTL1LTA4HDPP8DPP7 | |
| SCHEMBL7775125 | 0.91 | GSR (0.50) | ATML3MBTL1LTA4HDPP8DPP7 | |
| SCHEMBL7775127 | 0.91 | GSR (0.50) | ATML3MBTL1LTA4HDPP8DPP7 | |
| Phenylacetic Acid SCHEMBL28273739 | 0.86 | AKR1B1 (0.46) | LTA4HDPP8DPP7DPP9MMP2 | |
| SCHEMBL28120129 | 0.85 | ATM (0.44) | ATML3MBTL1LTA4HDPP8DPP7 | |
| SCHEMBL8517364 | 0.84 | TDP1 (0.44) | ATML3MBTL1TDP1 | |
| Acetic Acid Phenyl Ester SCHEMBL27970705 | 0.84 | GSR (0.50) | LTA4HITGB3ITGA2BGSRTDP1 | |
| SCHEMBL7874885 | 0.84 | LTA4H (0.41) | ATML3MBTL1LTA4HDPP8DPP7 | |
| Acetic Acid Phenyl Ester SCHEMBL534935 | 0.84 | GSR (0.50) | LTA4HITGB3ITGA2BGSRTDP1 | |
| Acetic Acid Phenyl Ester SCHEMBL534831 | 0.84 | GSR (0.50) | LTA4HITGB3ITGA2BGSRTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108366983-A | L Ornithine phenylacetate preparation | 欧塞拉治疗有限公司 | 2018-08-03 | — | — | CN | claimed |
| CN-107708684-A | L Ornithine phenylacetate preparation | 欧塞拉治疗有限公司 | 2018-02-16 | — | — | CN | claimed |
| CN-108366983-A | L Ornithine phenylacetate preparation | 欧塞拉治疗有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-107708684-A | L Ornithine phenylacetate preparation | 欧塞拉治疗有限公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-106810464-A | L ornithine phenylacetates and preparation method thereof | 欧塞拉治疗有限公司 | 2017-06-09 | — | — | CN | disclosed |
| CN-104230730-A | L-ORNITHINE PHENYL ACETATE AND METHODS OF MAKING THEREOF | OCERA THERAPEUTICS INC | 2014-12-24 | — | — | CN | disclosed |
| CN-102421432-B | L-ornithine phenylacetate and preparation method thereof | OCERA THERAPEUTICS INC | 2014-09-17 | — | — | CN | disclosed |