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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 known ✓ | Q9BQB6 | 5/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.60 |
| ▸ | ALB | P02768 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
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 SCHEMBL1647687 | 1.00 | CYP2C9 (0.60) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| SCHEMBL1649101 | 0.88 | VKORC1 (0.62) | CYP2C9VKORC1KDM4EALDH1A1PCSK7 | |
| SCHEMBL1649105 | 0.88 | VKORC1 (0.62) | CYP2C9VKORC1KDM4EALDH1A1PCSK7 | |
| SCHEMBL1649139 | 0.88 | VKORC1 (0.62) | CYP2C9VKORC1KDM4EALDH1A1PCSK7 | |
| SCHEMBL1647992 | 0.80 | VKORC1 (0.61) | CYP2C9VKORC1KDM4EALDH1A1PCSK7 | |
| SCHEMBL1647617 | 0.80 | VKORC1 (0.64) | CYP2C9VKORC1KDM4EALDH1A1PCSK7 | |
| Warfarin SCHEMBL662875 | 0.77 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL3689 | 0.77 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL2139452 | 0.77 | CYP2C9 (1.00) | CYP2C9VKORC1ALBHSD17B10KDM4E | |
| Warfarin SCHEMBL4439794 | 0.77 | CYP2C9 (1.00) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7932405-B2 | Halogenated ester derivatives of coumarins for the treatment of coagulation disorders | ARYX THERAPEUTICS, INC. (US) | 2011-04-26 | — | — | US | disclosed |
| US-7666902-B2 | 1,1,1,3,3,3-hexachloro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate; side effect reduction over warfarin | ARYX THERAPEUTICS, INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-20090082430-A1 | Materials and Methods for Treating Coagulation Disorders | ARYX THERAPEUTICS, INC. (US) | 2009-03-26 | — | — | US | disclosed |
| US-20080027132-A1 | Materials and Methods For Treating Coagulation Disorders | ARYX THERAPEUTICS (US) | 2008-01-31 | — | — | US | disclosed |
| US-7253208-B2 | Materials and methods for treating coagulation disorders | ARYX THERAPEUTICS (US) | 2007-08-07 | — | — | US | disclosed |
| US-20050245603-A1 | Materials and methods for treating coagulation disorders | ESPERO BIOPHARMA, INC. | 2005-11-03 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050245603-A1 | Materials and methods for treating coagulation disorders | F12, F2, SERPINC1 | VKORC1 38/4885CYP2C9 553/4885ALB 1538/4885 |
| US-20080027132-A1 | Materials and Methods For Treating Coagulation Disorders | F12, F2, SERPINC1 | VKORC1 38/4885CYP2C9 553/4885ALB 1538/4885 |
| US-20090082430-A1 | Materials and Methods for Treating Coagulation Disorders | F12, F2, SERPINC1 | VKORC1 38/4885CYP2C9 553/4885ALB 1538/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.