Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F9 | P00740 | 8/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | GRK6 | P43250 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21915340 | 1.00 | F9 (0.39) | F9F10CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL19813386 | 0.82 | F9 (0.41) | F9F10CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL17825813 | 0.79 | TAAR1 (0.37) | F9F10CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6000664 | 0.73 | TAAR1 (0.56) | CYP19A1SLC6A2SLC6A4 | |
| SCHEMBL3903476 | 0.70 | HTR2A (0.64) | CYP19A1SLC6A2SLC6A4 | |
| SCHEMBL17835148 | 0.70 | NPC1 (0.42) | SLC6A2SLC6A4 | |
| SCHEMBL19347320 | 0.69 | ABL1 (0.36) | KCNH2 | |
| SCHEMBL21597045 | 0.69 | CDK5 (0.37) | — | |
| SCHEMBL3401636 | 0.67 | HTR2A (0.48) | CYP19A1SLC6A2SLC6A4ROCK2 | |
| SCHEMBL13122919 | 0.65 | HRH1 (0.38) | — |
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-2016094260-A1 | FACTOR IXA INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |