Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL3720541 | 0.83 | CYP2D6 (0.32) | SLC6A4CYP1A2CYP2C19KDM4ECYP2D6 | |
| SCHEMBL3726542 | 0.77 | SLC6A4 (0.34) | SLC6A4 | |
| SCHEMBL3711085 | 0.74 | SLC6A4 (0.35) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL3711091 | 0.72 | SLC6A4 (0.36) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL924613 | 0.72 | SLC6A4 (0.37) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL28742741 | 0.71 | — | — | |
| SCHEMBL983772 | 0.70 | SLC6A4 (0.49) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL22638161 | 0.70 | MAPK1 (0.44) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL3711090 | 0.70 | SLC6A4 (0.36) | SLC6A4ALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL8361618 | 0.70 | CA12 (0.44) | ALDH1A1L3MBTL1CYP1A2CYP2C19NPC1 |
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 |