Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10326938 | 1.00 | CYP2C19 (0.49) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL10326936 | 1.00 | CYP2C19 (0.49) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL10327263 | 0.90 | CYP2D6 (0.62) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL10326582 | 0.90 | CYP2D6 (0.62) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL10326896 | 0.90 | CYP2D6 (0.62) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL3236521 | 0.89 | CYP2D6 (0.56) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL10326632 | 0.83 | CYP2B6 (0.41) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL25337905 | 0.82 | CYP2C19 (0.56) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL20832962 | 0.82 | CYP2C19 (0.56) | CYP2C19CYP2D6MAPK1KDM4ENPC1 | |
| SCHEMBL22259825 | 0.82 | CYP2C19 (0.56) | CYP2C19CYP2D6MAPK1KDM4ENPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011108672-A2 | HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST | 高砂香料工業株式会社 (JP) | 2011-09-09 | — | — | WO | disclosed |