Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MASP2 | O00187 | 1/20 | 0.39 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13019452 | 0.87 | CTSC (0.47) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL3676422 | 0.80 | HTR2C (0.45) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL14131110 | 0.78 | HTR2C (0.54) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL5095147 | 0.78 | HTR2C (0.53) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL10934562 | 0.78 | CTSC (0.55) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL31364184 | 0.75 | CTSC (0.53) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL8130551 | 0.75 | HTR2C (0.57) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL9115117 | 0.75 | HTR2C (0.57) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL8773336 | 0.75 | HTR2C (0.57) | CTSCCYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL8130548 | 0.75 | HTR2C (0.57) | CTSCCYP3A4CYP2D6CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2261232-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |