Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALB | P02768 | 2/20 | 0.51 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.51 |
| ▸ | PCSK7 | Q16549 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15514111 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL7351830 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL3048772 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL6890789 | 0.80 | CYP2C9 (0.52) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL27687924 | 0.80 | ADORA3 (0.42) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL9286035 | 0.79 | NQO1 (0.53) | ALDH1A1CYP2C9KDM4EVKORC1PCSK7 | |
| SCHEMBL2358729 | 0.78 | LMNA (0.48) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL7354341 | 0.77 | KDM4E (0.55) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL27687935 | 0.77 | ADORA3 (0.39) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL1649890 | 0.76 | NQO1 (0.50) | ALDH1A1CYP2C9KDM4EALBVKORC1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1089992-A1 | SYNTHESES BASED ON 2-HYDROXYACETOPHENONE | Hoechst Celanese Corporation (US) | 2001-04-11 | — | — | EP | claimed |
| EP-1089992-A4 | SYNTHESES BASED ON 2-HYDROXYACETOPHENONE | HOECHST CELANESE CORP (US) | 2001-04-11 | — | — | EP | claimed |
| US-5696274-A | Syntheses based on 2-hydroxyacetophenone | HOECHST CELANESE CORPORATION (US) | 1997-12-09 | — | — | US | claimed |
| WO-1997024347-A1 | SYNTHESES BASED ON 2-HYDROXYACETOPHENONE | HOECHST CORPORATION (US) | 1997-07-10 | — | — | WO | claimed |
| CN-112903003-A | Mongolian medicinal material radix glehniae quality standard and detection method thereof | 内蒙古蒙缘堂药业科技有限公司 | 2021-06-04 | — | — | CN | disclosed |
| US-20100273203-A1 | METHODS AND COMPOSITIONS FOR DETECTING METABOLITES | BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) | 2010-10-28 | — | — | US | disclosed |
| US-20060116826-A1 | Crystals of cytochrome P450 2C9, structures thereof and their use | ASTEX THERAPEUTICS LIMITED (GB) | 2006-06-01 | — | — | US | disclosed |
| EP-1623024-A2 | CRYSTALS OF CYTOCHROME P450 2C9, STRUCTURES THEREOF AND THEIR USE | Astex Therapeutics Limited (GB) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004096857-A2 | CRYSTALS OF CYTOCHROME P450 2C9, STRUCTURES THEREOF AND THEIR USE | ASTEX THERAPEUTICS LIMITED (GB) | 2004-11-11 | — | — | WO | disclosed |
| EP-1124556-B1 | USE OF OPTICALLY PURE (R)-TOFISOPAM FOR TREATING AND PREVENTING ANXIETY DISORDERS | VELA PHARMACEUTICALS INC (US) | 2004-06-23 | — | — | EP | disclosed |
| EP-0839142-B1 | A NOVEL ASYMMETRIC SYNTHESIS OF R AND S WARFARIN AND ITS ANALOGS | DU PONT PHARM CO (US) | 2001-09-12 | — | — | EP | disclosed |
| EP-1124556-A1 | USE OF OPTICALLY PURE (R)-TOFISOPAM FOR TREATING AND PREVENTING ANXIETY DISORDERS AND COMPOSITION THEREOF | Vela Pharmaceuticals Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| US-6080736-A | TREAT OR PREVENT ANXIETY OR ANXIETY DISORDERS EITHER ALONE OR IN CONJUNCTION WITH PSYCHOTHERAPY AND/OR ANTIDEPRESSANTS | JANUS PHARMACEUTICALS, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| WO-2000024400-A1 | USE OF OPTICALLY PURE (R)-TOFISOPAM FOR TREATING AND PREVENTING ANXIETY DISORDERS AND COMPOSITION THEREOF | VELA PHARMACEUTICALS INC. (US) | 2000-05-04 | — | — | WO | disclosed |
| US-5856525-A | ANTICOAGULANTS; RACEMIC MIXTURE OF S AND R-WARFARIN | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-01-05 | — | — | US | disclosed |
| EP-0839142-A1 | A NOVEL ASYMMETRIC SYNTHESIS OF R AND S WARFARIN AND ITS ANALOGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5686631-A | OXIDATION OF RACEMATE, STEREOSPECIFIC HYDROGENATION WITH CHIRAL PHOSPHINE CATALYST | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| WO-1997003062-A1 | A NOVEL ASYMMETRIC SYNTHESIS OF R AND S WARFARIN AND ITS ANALOGS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-01-30 | — | — | WO | disclosed |