Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 3/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19257218 | 0.93 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257285 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL15602222 | 0.90 | ERN1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL16863740 | 0.87 | CCNC (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257561 | 0.86 | ERN1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257279 | 0.86 | HSD17B1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257537 | 0.85 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257539 | 0.83 | JUN (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257278 | 0.82 | HSD17B1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 | |
| SCHEMBL19257284 | 0.82 | HSD17B1 (0.44) | CYP1A2CYP3A4CYP2D6CYP2C9HSD17B1 |
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-2017134146-A1 | GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF | FIBROSTATIN, S.L. (ES) | 2017-08-10 | — | — | WO | disclosed |