Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acenocoumarol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 known ✓ | Q9BQB6 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.90 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.90 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.90 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.90 |
| ▸ | ALB | P02768 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.72 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | GALK1 | P51570 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Acenocoumarol SCHEMBL14662100 | 0.96 | CYP2C9 (0.98) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Acenocoumarol SCHEMBL29454369 | 0.95 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Acenocoumarol SCHEMBL33543 | 0.95 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Acenocoumarol SCHEMBL27497093 | 0.95 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Phenprocoumon SCHEMBL28142123 | 0.94 | CYP2C9 (0.79) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Warfarin SCHEMBL13724154 | 0.90 | CYP2C9 (0.90) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| SCHEMBL11700745 | 0.87 | CYP2C9 (0.81) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Warfarin SCHEMBL4439794 | 0.85 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Warfarin SCHEMBL662875 | 0.85 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 | |
| Warfarin SCHEMBL29400364 | 0.85 | CYP2C9 (1.00) | CYP2C9NR1I2NR3C1ADRA1AKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |