Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824822 | 0.90 | S1PR1 (0.37) | S1PR1S1PR3S1PR5SIGMAR1S1PR4 | |
| SCHEMBL9824787 | 0.85 | S1PR1 (0.42) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| SCHEMBL7531561 | 0.81 | S1PR1 (0.44) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| SCHEMBL9824225 | 0.80 | OPRD1 (0.35) | S1PR1S1PR3S1PR5SIGMAR1CYP1A2 | |
| SCHEMBL10706159 | 0.79 | S1PR1 (0.39) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| SCHEMBL9824423 | 0.78 | S1PR1 (0.38) | S1PR1S1PR3S1PR5S1PR4CYP1A2 | |
| SCHEMBL7478605 | 0.78 | S1PR1 (0.44) | S1PR1S1PR3S1PR5SIGMAR1S1PR4 | |
| SCHEMBL9824249 | 0.77 | SIGMAR1 (0.37) | S1PR1S1PR3S1PR5SIGMAR1KDM4E | |
| SCHEMBL7647760 | 0.76 | S1PR1 (0.47) | S1PR1S1PR3S1PR5SIGMAR1S1PR4 | |
| SCHEMBL9824814 | 0.76 | CYP1A2 (0.45) | S1PR1S1PR3S1PR5SIGMAR1S1PR4 |
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 |