Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 17/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12312605 | 0.83 | P2RX7 (0.44) | CYP2D6CYP2C19P2RX7 | |
| SCHEMBL19954236 | 0.80 | POLB (0.48) | CYP2D6PKMCYP2C19P2RX7 | |
| SCHEMBL31136802 | 0.77 | CYP2D6 (0.44) | CYP2D6PKMCYP2C19P2RX7 | |
| SCHEMBL13644157 | 0.77 | CYP2D6 (0.44) | CYP2D6PKMCYP2C19P2RX7 | |
| SCHEMBL8229008 | 0.77 | SLC6A2 (0.59) | HTR2CSLC6A4P2RX7 | |
| SCHEMBL31136790 | 0.77 | SLC6A2 (0.59) | HTR2CSLC6A4P2RX7 | |
| SCHEMBL13644154 | 0.76 | P2RX7 (0.41) | HTR2CSLC6A4CYP2D6PKMCYP2C19 | |
| SCHEMBL19954188 | 0.76 | HTT (0.45) | CYP2D6PKMCYP2C19P2RX7 | |
| SCHEMBL19334518 | 0.75 | LMNA (0.56) | CYP2D6CYP2C19 | |
| SCHEMBL257076 | 0.74 | P2RX7 (0.48) | CYP2D6PKMCYP2C19P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |