Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12295292 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL10326467 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL10326595 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL27775252 | 0.84 | KDM4E (0.42) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL10326553 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL17979785 | 0.84 | CYP2D6 (0.62) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL10326564 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL10326879 | 0.84 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL22260353 | 0.83 | RAB9A (0.53) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 | |
| SCHEMBL20832974 | 0.83 | RAB9A (0.53) | CYP1A2CYP2D6CYP2C19KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7312214-B2 | 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2003099276-A1 | 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-12-04 | — | — | WO | disclosed |