Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | ESRRG | P62508 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2697752 | 0.83 | MTOR (0.42) | NISCHCYP19A1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL697304 | 0.82 | CYP19A1 (0.50) | NISCHCYP19A1NPC1RAB9ATSHR | |
| SCHEMBL5738213 | 0.77 | NISCH (0.43) | NISCHCYP19A1NPC1RAB9ATSHR | |
| SCHEMBL11669732 | 0.75 | CYP19A1 (0.43) | NISCHCYP19A1NPC1RAB9AALDH1A1 | |
| SCHEMBL22513575 | 0.74 | CYP19A1 (0.39) | CYP19A1TAAR1 | |
| SCHEMBL11845631 | 0.72 | RAB9A (0.43) | NISCHCYP19A1NPC1RAB9AALDH1A1 | |
| SCHEMBL67017 | 0.71 | — | — | |
| SCHEMBL4942966 | 0.70 | TSHR (0.67) | CYP19A1NPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL18901114 | 0.70 | TSHR (0.67) | CYP19A1NPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL11540370 | 0.69 | CYP19A1 (0.70) | NISCHCYP19A1NPC1RAB9ATSHR |
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 |