Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenprocoumon. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 known ✓ | Q9BQB6 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | ALB | P02768 | 1/20 | 0.58 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | NQO1 | P15559 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Phenprocoumon SCHEMBL43031 | 0.87 | CYP2C9 (1.00) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL24500477 | 0.87 | CYP2C9 (1.00) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL29392123 | 0.87 | CYP2C9 (1.00) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| Phenprocoumon SCHEMBL24500472 | 0.87 | CYP2C9 (1.00) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| Ethyl Biscoumacetate SCHEMBL1900704 | 0.83 | ADORA3 (0.76) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| Warfarin SCHEMBL2762070 | 0.81 | CYP2C9 (0.69) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL7351110 | 0.81 | CYP2C9 (0.87) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL7350826 | 0.81 | CYP2C9 (0.77) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL8042698 | 0.80 | CYP2C9 (0.86) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL7348669 | 0.80 | CYP2C9 (0.81) | CYP2C9VKORC1HSD17B10KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2101777-A1 | COMPOSITION FOR TREATING A PULMONARY HYPERTENSION | Gilead Colorado, Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008073928-A1 | COMPOSITION FOR TREATING A PULMONARY HYPERTENSION | GILEAD COLORADO, INC. (US) | 2008-06-19 | — | — | WO | disclosed |