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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 SCHEMBL7572924 | 0.93 | CA2 (0.42) | CA2CA4CES2CES1ALDH1A1 | |
| Oxalic Acid SCHEMBL1053513 | 0.91 | CA2 (0.41) | CA2CA4ALDH1A1CYP1A2CYP2D6 | |
| Acetic Acid SCHEMBL7872955 | 0.86 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL9603211 | 0.86 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL7865550 | 0.86 | CA2 (0.41) | CA2CA4CES2CES1ALDH1A1 | |
| Benzoic Acid SCHEMBL7871227 | 0.85 | CA2 (0.64) | CA2CA4CES2CES1ALDH1A1 | |
| Acetic Acid SCHEMBL9603209 | 0.84 | CA2 (0.39) | CA2CA4CES2CES1ALDH1A1 | |
| Tetraphenylphosphonium SCHEMBL1037056 | 0.83 | CA2 (0.42) | CA2CA4AKR1C3CES2CES1 | |
| Acetic Acid SCHEMBL7872916 | 0.82 | CA2 (0.38) | CA2CA4CES2CES1ALDH1A1 | |
| SCHEMBL7877206 | 0.82 | HIF1A (0.41) | ALDH1A1CYP2D6TSHRHSD17B10LMNA |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |
| EP-0337322-B1 | PROCESS FOR PRODUCING MONOSILANE | MITSUBISHI KASEI CORPORATION (JP) | 1993-07-21 | — | — | EP | disclosed |
| US-4904460-A | Process for producing monosilane | MITSUBISHI KASEI CORPORATION (JP) | 1990-02-27 | — | — | US | disclosed |
| EP-0337322-A2 | Process for producing monosilane | MITSUBISHI KASEI CORPORATION (JP) | 1989-10-18 | — | — | EP | disclosed |
| EP-0077202-B1 | PROCESS FOR HYDROXYLATING OLEFINS USING OSMIUM-HALOGEN COMPOUND CATALYSTS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-04-09 | — | — | EP | disclosed |
| EP-0077201-B1 | HYDROXYLATION OF OLEFINS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1986-01-15 | — | — | EP | disclosed |
| EP-0160148-A1 | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper cocatalyst, and a cycloaliphatic amine based promoter | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-11-06 | — | — | EP | disclosed |
| US-4533772-A | Process for directly hydroxylating olefins using an osmium-halide catalyst and oxygen oxidant | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-08-06 | — | — | US | disclosed |
| US-4533773-A | Process for hydroxylating olefins in the presence of an osmium oxide catalyst and carboxylate salt co-catalyst | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-08-06 | — | — | US | disclosed |
| EP-0139498-A1 | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper co-catalyst, and an aromatic amine based promoter | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1985-05-02 | — | — | EP | disclosed |
| US-4496779-A | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper co-catalyst, and a cycloaliphatic amine based promoter | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-01-29 | — | — | US | disclosed |
| US-4496778-A | Process for the hydroxylation of olefins using molecular oxygen, an osmium containing catalyst, a copper Co-catalyst, and an aromatic amine based promoter | EXXON RESEARCH & ENGINEERING CO. (US) | 1985-01-29 | — | — | US | disclosed |
| US-4486613-A | CATALYTIC OXIDATION | EXXON RESEARCH & ENGINEERING CO. (US) | 1984-12-04 | — | — | US | disclosed |
| EP-0104873-A2 | A process for hydroxylating olefins using an osmium carbonyl catalyst | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1984-04-04 | — | — | EP | disclosed |
| EP-0102154-A1 | Process for hydroxylating olefins using a supported osmium catalyst | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1984-03-07 | — | — | EP | disclosed |
| EP-0098701-A1 | Process for hydroxylating olefins in the presence of an osmium oxide catalyst and carboxylate salt co-catalyst | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1984-01-18 | — | — | EP | disclosed |
| US-4413151-A | WITH WATER AND OXIDIZER | EXXON RESEARCH & ENGINEERING CO. (US) | 1983-11-01 | — | — | US | disclosed |
| US-4390739-A | Hydroxylation of olefins | EXXON RESEARCH & ENGINEERING CO. (US) | 1983-06-28 | — | — | US | disclosed |
| EP-0077202-A2 | Process for hydroxylating olefins using osmium-halogen compound catalysts | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1983-04-20 | — | — | EP | disclosed |
| EP-0077201-A2 | Hydroxylation of olefins | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1983-04-20 | — | — | EP | disclosed |