Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19286220 | 0.85 | KDM4E (0.36) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL19286181 | 0.85 | KDM4E (0.40) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL19286258 | 0.78 | KDM4E (0.34) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL17470227 | 0.75 | KDM4E (0.35) | KDM4ENPC1CYP1A2CYP2D6HPGD | |
| SCHEMBL19286287 | 0.74 | CYP3A4 (0.47) | KDM4ECYP1A2CYP2D6CYP2C19 | |
| SCHEMBL19286176 | 0.72 | MAPT (0.50) | KDM4E | |
| SCHEMBL17470039 | 0.72 | MAPT (0.50) | KDM4E | |
| SCHEMBL19286180 | 0.72 | ALDH1A1 (0.36) | HPGD | |
| SCHEMBL19286178 | 0.70 | ALDH1A1 (0.35) | NPC1 | |
| SCHEMBL19286285 | 0.69 | ALDH1A1 (0.34) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |