Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.54 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13802273 | 1.00 | CYP3A4 (0.54) | CYP3A4HSD17B1HSD17B2CYP1A2CYP2D6 | |
| SCHEMBL3901474 | 0.88 | ALDH1A1 (0.45) | CYP3A4HSD17B1HSD17B2CYP1A2CYP2D6 | |
| SCHEMBL3901469 | 0.88 | ALDH1A1 (0.45) | CYP3A4HSD17B1HSD17B2CYP1A2CYP2D6 | |
| SCHEMBL3905767 | 0.80 | ALDH1A1 (0.48) | CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL13791078 | 0.77 | MLYCD (0.45) | CYP3A4HSD17B1HSD17B2KDM4ECCNC | |
| SCHEMBL3915125 | 0.76 | VDR (0.43) | CYP3A4CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL1210329 | 0.73 | MAOB (0.60) | CYP1A2CYP2D6L3MBTL1HCRTR1ALDH1A1 | |
| SCHEMBL1210331 | 0.73 | MAOB (0.60) | CYP1A2CYP2D6L3MBTL1HCRTR1ALDH1A1 | |
| SCHEMBL29421074 | 0.73 | MAOB (0.60) | CYP1A2CYP2D6L3MBTL1HCRTR1ALDH1A1 | |
| SCHEMBL380970 | 0.73 | ALDH1A1 (0.54) | CYP3A4ALDH1A1HPGDKDM4EUSP2 |
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-7553867-B2 | Furan or thiophene derivative and medicinal use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-30 | — | — | US | disclosed |