Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 3/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 8/20 | 0.40 |
| ▸ | IDO1 | P14902 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2432787 | 0.88 | TACR1 (0.44) | ACACBTACR1HSD11B1 | |
| SCHEMBL2425067 | 0.86 | TACR1 (0.56) | ACACBOPRD1OPRK1TACR1 | |
| SCHEMBL2425223 | 0.79 | TACR1 (0.60) | TACR1 | |
| SCHEMBL3924879 | 0.77 | CTSK (0.37) | ACACBOPRD1OPRK1IDO1 | |
| SCHEMBL2428526 | 0.76 | TACR1 (0.67) | ACACBTACR1 | |
| SCHEMBL2430655 | 0.76 | TACR1 (0.55) | TACR1 | |
| SCHEMBL8129622 | 0.73 | TACR1 (0.74) | TACR1 | |
| SCHEMBL2427980 | 0.73 | TACR1 (0.46) | ACACBTACR1 | |
| SCHEMBL2434104 | 0.72 | TACR1 (0.49) | ACACBOPRD1OPRK1TACR1 | |
| SCHEMBL5592248 | 0.72 | OPRD1 (0.55) | OPRD1OPRK1GAAHSD11B1 |
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 |