Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.39 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10326551 | 0.85 | KDM4E (0.46) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10327031 | 0.82 | CYP2D6 (0.59) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL17676890 | 0.82 | KDM4E (0.44) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL6441061 | 0.82 | CYP2D6 (0.59) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326303 | 0.82 | CYP2D6 (0.59) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326582 | 0.77 | CYP2D6 (0.62) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326896 | 0.77 | CYP2D6 (0.62) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10327263 | 0.77 | CYP2D6 (0.62) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326338 | 0.76 | KDM4E (0.42) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL10326467 | 0.72 | CYP1A2 (0.44) | 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 |