Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F11 | P03951 | 15/20 | 0.47 |
| ▸ | KLKB1 | P03952 | 15/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1197108 | 0.83 | SSTR3 (0.54) | — | |
| SCHEMBL393037 | 0.78 | CYP1A2 (0.51) | F11KLKB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28773347 | 0.76 | CYP1A2 (0.49) | F11KLKB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL392214 | 0.76 | CYP1A2 (0.45) | F11KLKB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27724873 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL391686 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18921065 | 0.74 | S1PR4 (0.43) | F11 | |
| SCHEMBL1196577 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2D6 | |
| SCHEMBL5908164 | 0.73 | CYP1A2 (0.45) | F11KLKB1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5893621 | 0.73 | F11 (0.52) | F11KLKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101341129-B | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2011-12-14 | — | — | CN | disclosed |
| CN-101341129-A | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-01-07 | — | — | CN | disclosed |