Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.49 |
| ▸ | MAOB | P27338 | 7/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL15200324 | 0.85 | SLC22A12 (0.43) | SLC22A12MAOBMAOAKDM4EGAA | |
| SCHEMBL118295 | 0.83 | SLC22A12 (0.42) | SLC22A12MAOBMAOAKDM4EGAA | |
| SCHEMBL15199256 | 0.82 | SLC22A12 (0.41) | SLC22A12MAOBMAOAKDM4EGAA | |
| SCHEMBL5746295 | 0.80 | SLC22A12 (0.46) | SLC22A12MAOBMAOAF2RL3CYP17A1 | |
| SCHEMBL21224539 | 0.80 | SLC22A12 (0.40) | SLC22A12MAOBMAOAKDM4EGAA | |
| SCHEMBL21230560 | 0.80 | SLC22A12 (0.40) | SLC22A12F2RL3KDM4EGAAALDH1A1 | |
| SCHEMBL21224451 | 0.79 | CYP17A1 (0.51) | MAOBMAOACYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL29592751 | 0.79 | CYP17A1 (0.51) | MAOBMAOACYP17A1CYP19A1ALDH1A1 | |
| SCHEMBL23218931 | 0.77 | CYP17A1 (0.37) | SLC22A12MAOBMAOACYP17A1CYP19A1 | |
| SCHEMBL29853117 | 0.77 | CYP17A1 (0.37) | SLC22A12MAOBMAOACYP17A1CYP19A1 |
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 3 patents. 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 |
| EP-1501831-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091255-A1 | INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) | WARNER-LAMBERT COMPANY LLC (US) | 2003-11-06 | — | — | WO | disclosed |