Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.31 |
| ▸ | ATXN2 | Q99700 | 3/20 | 0.31 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014639 | 0.93 | CTSK (0.35) | CTSKOPRD1OPRK1HRH2HRH1 | |
| SCHEMBL12290809 | 0.87 | TACR1 (0.38) | CYP3A4 | |
| SCHEMBL2424821 | 0.87 | TACR1 (0.38) | CYP3A4 | |
| SCHEMBL2428449 | 0.87 | TACR1 (0.38) | CYP3A4 | |
| SCHEMBL2425742 | 0.84 | TACR1 (0.41) | — | |
| SCHEMBL2425740 | 0.84 | TACR1 (0.41) | — | |
| SCHEMBL2425829 | 0.81 | TACR1 (0.39) | — | |
| SCHEMBL2425826 | 0.81 | TACR1 (0.39) | — | |
| SCHEMBL2427521 | 0.81 | TACR1 (0.33) | CTSKS1PR2 | |
| SCHEMBL2427706 | 0.81 | TACR1 (0.33) | CTSKENPP2ATXN2S1PR2 |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |