Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | CASP7 | P55210 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4450940 | 0.86 | PDE10A (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL1894600 | 0.85 | PDE10A (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL4016374 | 0.81 | F10 (0.40) | MEN1KMT2AF10CD274ALDH1A1 | |
| SCHEMBL13625902 | 0.81 | ALDH1A1 (0.41) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL4013365 | 0.79 | SMN1; SMN2 (0.40) | F10CD274ALDH1A1MAPK1KDM4E | |
| SCHEMBL4009996 | 0.77 | S1PR1 (0.37) | CYP3A4CYP2C9CYP1A2CD274TSHR | |
| SCHEMBL12994037 | 0.77 | PDE10A (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL1891376 | 0.77 | PDE10A (0.40) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL1892239 | 0.74 | F10 (0.47) | CYP3A4CYP2C9CYP2C19CYP1A2MEN1 | |
| SCHEMBL4313277 | 0.74 | CD274 (0.41) | F10CD274 |
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-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |