Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.68 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2745398 | 0.89 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3CHRM2CHRM4 | |
| SCHEMBL25354352 | 0.81 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL9161142 | 0.81 | CYP2A6 (0.47) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL7482051 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL2691506 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL9405186 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL16688767 | 0.81 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL2690113 | 0.81 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL23798028 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP2A6CYP3A4 | |
| SCHEMBL10177530 | 0.81 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP2A6CHRM2 |
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-1157020-B1 | SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCIN-10-OLS, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2002-09-25 | — | — | EP | disclosed |