Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824423 | 0.95 | S1PR1 (0.38) | S1PR1S1PR3S1PR5S1PR4 | |
| SCHEMBL9824787 | 0.86 | S1PR1 (0.42) | S1PR1S1PR3S1PR5S1PR4ADRA1D | |
| SCHEMBL7531561 | 0.85 | S1PR1 (0.44) | S1PR1S1PR3S1PR5S1PR4ADRA1D | |
| SCHEMBL27799980 | 0.84 | ALDH1A1 (0.41) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL9824881 | 0.83 | HRH3 (0.33) | S1PR1S1PR3S1PR5S1PR4SPHK2 | |
| SCHEMBL28296702 | 0.80 | ALDH1A1 (0.37) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL9824576 | 0.79 | OPRD1 (0.36) | S1PR1S1PR3S1PR5 | |
| SCHEMBL9824822 | 0.79 | S1PR1 (0.37) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL11620463 | 0.78 | S1PR1 (0.35) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL18609738 | 0.78 | CYP1A2 (0.47) | ALDH1A1 |
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 |