Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PRKCA | P17252 | 3/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229657 | 0.83 | PRKCA (0.63) | PARP1ROCK2PRKCAGABRPGABRD | |
| SCHEMBL5828276 | 0.80 | PARP1 (0.51) | PARP1ROCK2PRKCAGABRPGABRD | |
| SCHEMBL9622936 | 0.80 | TERT (0.52) | PARP1MEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9622732 | 0.79 | TERT (0.51) | PARP1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL5438544 | 0.79 | PRKCA (0.71) | PARP1ROCK2ADORA3ADORA2AADORA2B | |
| SCHEMBL25835901 | 0.78 | PARP1 (0.68) | PARP1PRKCAGABRPGABRDGABRA1 | |
| SCHEMBL25835900 | 0.78 | PARP1 (0.68) | PARP1PRKCAGABRPGABRDGABRA1 | |
| SCHEMBL9622806 | 0.77 | NQO1 (0.67) | PARP1ADORA3PRKCASIRT2MEN1 | |
| SCHEMBL8133497 | 0.76 | SIRT1 (0.49) | PARP1SIRT1MAPT | |
| SCHEMBL14708732 | 0.76 | ROCK2 (0.58) | PARP1ROCK2ADORA3ADORA2AADORA2B |
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-7094798-B1 | Inhibitors of checkpoint kinases (Wee1 and Chk1) | PFIZER INC (US) | 2006-08-22 | — | — | US | disclosed |