Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Warfarin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 known ✓ | Q9BQB6 | 3/20 | 0.93 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.93 |
| ▸ | ALB | P02768 | 2/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.93 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.93 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.93 |
| ▸ | MEN1 | O00255 | 1/20 | 0.93 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.93 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.72 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | BRD4 | O60885 | 1/20 | 0.64 |
| ▸ | NQO1 | P15559 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Warfarin SCHEMBL3689 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL4439794 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL3792087 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL29400364 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL2139452 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL662875 | 0.96 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL4757598 | 0.95 | CYP2C9 (0.97) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL34347 | 0.95 | CYP2C9 (0.97) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL2597774 | 0.95 | CYP2C9 (0.97) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL13278154 | 0.95 | CYP2C9 (0.97) | CYP2C9VKORC1ALBHSD17B10KDM4E |
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 11 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 |
| 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 |
| 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 |