Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6010084 | 0.82 | KDM4E (0.59) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12765863 | 0.81 | KDM4E (0.98) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19829391 | 0.81 | KDM4E (0.98) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2216260 | 0.81 | KDM4E (0.98) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17866218 | 0.76 | PNMT (0.40) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9622957 | 0.75 | KDM4E (0.68) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11366297 | 0.75 | KDM4E (0.82) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20365851 | 0.74 | KDM4E (0.70) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4727252 | 0.72 | KDM4E (0.64) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL31078247 | 0.72 | KDM4E (0.64) | KDM4ECYP1A2CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0217737-B1 | TETRAHYDRO-BETA-CARBOLINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1991-08-14 | — | — | EP | disclosed |
| EP-0217737-A2 | Tetrahydro-beta-carbolines, process for their preparation and their use as medicaments | SCHERING AKTIENGESELLSCHAFT (DE) | 1987-04-08 | — | — | EP | disclosed |