Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 10/20 | 0.61 |
| ▸ | ALB | P02768 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.61 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | NQO1 | P15559 | 4/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CRHBP | P24387 | 1/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | CASP6 | P55212 | 1/20 | 0.52 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Coumachlor SCHEMBL433455 | 0.85 | CYP2C9 (0.84) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| Coumachlor SCHEMBL30930052 | 0.85 | CYP2C9 (0.84) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| SCHEMBL1649084 | 0.85 | NQO1 (0.70) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| SCHEMBL7406235 | 0.82 | CYP2C9 (0.82) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| SCHEMBL1647642 | 0.81 | CYP2C9 (0.75) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| SCHEMBL3480693 | 0.79 | CYP2C9 (0.59) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| SCHEMBL3168033 | 0.78 | NQO1 (0.72) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| Warfarin SCHEMBL662875 | 0.77 | CYP2C9 (1.00) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| Warfarin SCHEMBL2139452 | 0.77 | CYP2C9 (1.00) | CYP2C9ALBHSD17B10VKORC1KDM4E | |
| Warfarin SCHEMBL4439794 | 0.77 | CYP2C9 (1.00) | CYP2C9ALBHSD17B10VKORC1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003050105-A2 | CATALYTIC ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | CHEMINOVA A/S (DK) | 2003-06-19 | — | — | WO | disclosed |