Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.42 |
| ▸ | CASP1 | P29466 | 12/20 | 0.42 |
| ▸ | CASP7 | P55210 | 12/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.42 |
| ▸ | MEN1 | O00255 | 8/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.42 |
| ▸ | USP2 | O75604 | 8/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 9/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 3/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 5/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 5/20 | 0.39 |
| ▸ | HBB | P68871 | 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 | |
|---|---|---|---|---|
| SCHEMBL6257438 | 0.92 | USP2 (0.44) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6235648 | 0.81 | HRH3 (0.51) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6233946 | 0.77 | DPP4 (0.50) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6235329 | 0.77 | RPS6KB2 (0.42) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6236374 | 0.73 | RPS6KB2 (0.54) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6237136 | 0.73 | RPS6KB2 (0.44) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6234238 | 0.72 | RPS6KB2 (0.44) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6240919 | 0.72 | RPS6KB2 (0.44) | CYP1A2CASP1CASP7CYP3A4ALDH1A1 | |
| SCHEMBL6255922 | 0.72 | HRH3 (0.51) | CYP1A2ALDH1A1USP2MAPK1TBK1 | |
| SCHEMBL6234869 | 0.72 | HRH3 (0.48) | MAPK1 |
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-2005007099-A2 | PKB INHIBITORS AS ANTI-TUMOR AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-27 | — | — | WO | disclosed |