Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 3/20 | 0.32 |
| ▸ | HRH1 | P35367 | 3/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | DRD5 | P21918 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL4007696 | 0.93 | CTSK (0.35) | CTSKOPRD1OPRK1HRH2HRH1 | |
| SCHEMBL2427521 | 0.88 | TACR1 (0.33) | CTSK | |
| SCHEMBL2426102 | 0.87 | TACR1 (0.39) | — | |
| SCHEMBL2427267 | 0.87 | TACR1 (0.39) | — | |
| SCHEMBL2426104 | 0.87 | TACR1 (0.39) | — | |
| SCHEMBL2428130 | 0.84 | TACR1 (0.41) | — | |
| SCHEMBL2428127 | 0.84 | TACR1 (0.41) | — | |
| SCHEMBL2432060 | 0.81 | TACR1 (0.37) | — | |
| SCHEMBL2432063 | 0.81 | TACR1 (0.37) | — | |
| SCHEMBL3924879 | 0.80 | CTSK (0.37) | CTSKOPRD1OPRK1HRH2HRH1 |
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 |