Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | IL1B | P01584 | 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 | |
|---|---|---|---|---|
| SCHEMBL10326556 | 0.84 | KDM4E (0.37) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10327059 | 0.84 | KDM4E (0.37) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL12295528 | 0.83 | CYP1A2 (0.41) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL17676909 | 0.83 | MKNK1 (0.36) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326536 | 0.82 | MAPK1 (0.55) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326985 | 0.82 | MAPK1 (0.55) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326627 | 0.82 | MAPK1 (0.55) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL12296185 | 0.80 | CYP1A2 (0.48) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326634 | 0.77 | KDM4E (0.35) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL12996884 | 0.77 | KDM4E (0.35) | KDM4ENPC1CYP1A2CYP2D6HPGD |
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 |