Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14101820 | 0.95 | CYP1A2 (0.45) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL14101819 | 0.93 | GSK3B (0.43) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL4721589 | 0.86 | MAPT (0.47) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL14102075 | 0.85 | MEN1 (0.45) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL14102071 | 0.85 | MEN1 (0.44) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL14102069 | 0.83 | MEN1 (0.43) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL14102067 | 0.81 | GSK3B (0.41) | CYP1A2CYP1A1CYP1B1GSK3BMEN1 | |
| SCHEMBL4722538 | 0.81 | MAPT (0.48) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL4722671 | 0.78 | MAPT (0.50) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL4723902 | 0.78 | MAPT (0.45) | CYP1A2CYP1A1CYP1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |