Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL3711090 | 0.83 | SLC6A4 (0.36) | CYP2D6CYP1A2MAPK1CYP2C19SLC6A4 | |
| SCHEMBL3716874 | 0.78 | NOS3 (0.33) | KDM4E | |
| SCHEMBL3720545 | 0.78 | CYP2D6 (0.32) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL3720537 | 0.77 | HTR1A (0.33) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL925088 | 0.76 | KDM4E (0.38) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL533960 | 0.76 | CYP2D6 (0.42) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL925429 | 0.75 | CYP2D6 (0.33) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL3720541 | 0.70 | CYP2D6 (0.32) | CYP2D6CYP1A2MAPK1CYP2C19HTR1A | |
| SCHEMBL534207 | 0.70 | SLC6A4 (0.40) | CYP2D6MAPK1HTR1ASLC6A4KDM4E | |
| SCHEMBL533873 | 0.67 | SLC6A4 (0.41) | CYP2D6MAPK1HTR1ASLC6A4KDM4E |
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-2231677-A2 | TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | Novartis AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074674-A2 | TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS | NOVARTIS AG (CH) | 2009-06-18 | — | — | WO | disclosed |