Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20169942 | 0.85 | CYP17A1 (0.38) | ATRMETAP1CYP17A1BRD9GSK3B | |
| SCHEMBL18961363 | 0.83 | CYP17A1 (0.38) | ATRMETAP1CYP17A1BRD9GSK3B | |
| SCHEMBL18940479 | 0.82 | ATR (0.43) | ATRMETAP1CYP17A1BRD9GSK3B | |
| SCHEMBL28424266 | 0.80 | ATR (0.38) | ATRMETAP1CYP17A1BRD9GSK3B | |
| SCHEMBL2083740 | 0.75 | METAP1 (0.53) | ATRMETAP1CYP17A1BRD9RXFP1 | |
| SCHEMBL30681980 | 0.75 | METAP1 (0.53) | ATRMETAP1CYP17A1BRD9RXFP1 | |
| SCHEMBL15261454 | 0.73 | SYK (0.38) | ATRCYP17A1GSK3BDYRK1AGABRG2 | |
| SCHEMBL29178763 | 0.73 | ATR (0.40) | ATRMETAP1CYP17A1GSK3BDYRK1A | |
| SCHEMBL17282546 | 0.72 | SYK (0.42) | ATRCYP17A1GSK3BDYRK1AGABRG2 | |
| SCHEMBL29956827 | 0.72 | ATR (0.39) | ATRMETAP1CYP17A1BRD9GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1378534-A | Substituted polycyclic aryl and heteroaryl pyridones for selective inhibition of the coagulation cascade | PHARMACIA CO (US) | 2002-11-06 | — | — | CN | disclosed |