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 | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9583114 | 1.00 | PTPN1 (0.54) | PTPN1MAOBKMT2AMEN1MAPT | |
| SCHEMBL9583852 | 0.95 | PTPN1 (0.55) | PTPN1MAOBKMT2AMEN1MAPT | |
| SCHEMBL9583864 | 0.95 | PTPN1 (0.55) | PTPN1MAOBKMT2AMEN1MAPT | |
| Acetic Acid SCHEMBL9583560 | 0.89 | MEN1 (0.51) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL11109031 | 0.89 | MEN1 (0.51) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9582625 | 0.87 | MEN1 (0.50) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9582614 | 0.87 | MEN1 (0.50) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9583431 | 0.86 | KMT2A (0.46) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9583442 | 0.86 | KMT2A (0.46) | MAOBKMT2AMEN1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9583949 | 0.85 | ALDH1A1 (0.52) | KMT2AMEN1MAPTSMN1; SMN2RAB9A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4469889-A | 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-09-04 | — | — | US | claimed |
| US-5260339-A | 4-phenyl-1,3-benzodiazepines and 2-amino-α-phenylphenethylamines for treating convulsions and protecting neurons | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-11-09 | — | — | US | disclosed |
| US-5185465-A | Carboxamides of 2-amino-alpha-phenlphenethylamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1993-02-09 | — | — | US | disclosed |
| US-4968721-A | 2-amino-alpha-phenylphenethylamines and method of use | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-11-06 | — | — | US | disclosed |
| US-4933493-A | Intermediates for the preparation of 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-06-12 | — | — | US | disclosed |
| US-4855502-A | CHEMICAL INTERMEDIATES FOR 1,3-BENZODIAZEPINES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4822914-A | 2-amino-N-methyl-α-phenyl-phenethylamines | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-04-18 | — | — | US | disclosed |
| US-RE32444-E | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-23 | — | — | US | disclosed |
| EP-0057870-B1 | N-OPTIONELLY SUBSTITUTED-2-AMINO-ALPHA-PHENYLPHENETHYLAMINES AND A METHOD FOR THEIR PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-07-31 | — | — | EP | disclosed |
| US-4504680-A | 4-Phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1985-03-12 | — | — | US | disclosed |
| US-4469889-A | 2-(2-Nitrophenyl)-1-phenylethanone oxime acetates | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-09-04 | — | — | US | disclosed |
| US-4462933-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-31 | — | — | US | disclosed |
| US-4459231-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-10 | — | — | US | disclosed |
| US-4459230-A | Process for preparing 4-phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS, INCORPORATED (US) | 1984-07-10 | — | — | US | disclosed |
| US-4409145-A | OXIMINATION, ESTERIFICATION, REDUCTION | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1983-10-11 | — | — | US | disclosed |
| EP-0009800-B1 | 4-PHENYL-1,3-BENZODIAZEPINES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THE COMPOUNDS FOR USE AS MEDICAMENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-02-23 | — | — | EP | disclosed |
| EP-0057870-A1 | N-optionelly substituted-2-amino-alpha-phenylphenethylamines and a method for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-08-18 | — | — | EP | disclosed |
| US-4309424-A | 4-Phenyl-1,3-benzodiazepines | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1982-01-05 | — | — | US | disclosed |
| EP-0009800-A2 | 4-Phenyl-1,3-benzodiazepines, method for their preparation, pharmaceutical compositions containing them, and the compounds for use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-04-16 | — | — | EP | disclosed |