Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | NMT1 | P30419 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824289 | 0.91 | OPRM1 (0.35) | SIGMAR1S1PR1S1PR3S1PR5OPRM1 | |
| SCHEMBL9824759 | 0.81 | S1PR1 (0.38) | S1PR1S1PR3S1PR5OPRM1OPRL1 | |
| SCHEMBL9824607 | 0.77 | S1PR1 (0.41) | SIGMAR1S1PR1S1PR3S1PR5KDM4E | |
| SCHEMBL9824186 | 0.76 | MAPT (0.46) | S1PR1S1PR3S1PR5CTSK | |
| SCHEMBL4293383 | 0.76 | OPRM1 (0.37) | S1PR1S1PR3S1PR5OPRM1OPRL1 | |
| SCHEMBL9824235 | 0.74 | OPRM1 (0.34) | S1PR1S1PR3S1PR5OPRM1OPRL1 | |
| SCHEMBL9824773 | 0.74 | S1PR1 (0.31) | S1PR1S1PR3S1PR5OPRM1OPRL1 | |
| SCHEMBL9824002 | 0.74 | OPRM1 (0.32) | OPRM1OPRL1 | |
| SCHEMBL4153482 | 0.72 | SIGMAR1 (0.39) | SIGMAR1S1PR1S1PR3S1PR5 | |
| SCHEMBL9824327 | 0.72 | CYP1A2 (0.35) | OPRM1OPRL1SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |