Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15416943 | 0.83 | SIGMAR1 (0.52) | SIGMAR1CXCR4NPC1RAB9ACHRM2 | |
| SCHEMBL12608167 | 0.83 | OPRM1 (0.42) | SIGMAR1KDM1AMAOAMAOBNPC1 | |
| Hydrochloric Acid SCHEMBL3340623 | 0.82 | OPRM1 (0.41) | SIGMAR1KDM1AMAOAMAOBNPC1 | |
| SCHEMBL23023184 | 0.80 | CHRM2 (0.58) | SIGMAR1CXCR4NPC1RAB9ACHRM2 | |
| SCHEMBL23023029 | 0.79 | SIGMAR1 (0.77) | SIGMAR1KDM1AMAOAMAOBNPC1 | |
| SCHEMBL23023177 | 0.79 | SIGMAR1 (0.77) | SIGMAR1KDM1AMAOAMAOBNPC1 | |
| SCHEMBL10425868 | 0.77 | SIGMAR1 (0.73) | SIGMAR1MAOANPC1RAB9ACHRM2 | |
| SCHEMBL16264580 | 0.75 | CXCR4 (0.52) | SIGMAR1CXCR4NPC1RAB9A | |
| SCHEMBL23022866 | 0.74 | SIGMAR1 (0.69) | SIGMAR1MAOACHRM2 | |
| SCHEMBL23023055 | 0.71 | SIGMAR1 (0.50) | SIGMAR1KDM1AMAOAMAOBBCHE |
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-8633175-B2 | Compounds as antagonists or inverse agonists at opioid receptors | GLAXOSMITHKLINE LLC (US) | 2014-01-21 | — | — | US | disclosed |