Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 5/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15520814 | 0.99 | KDR (0.39) | KDRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL951282 | 0.90 | ALDH1A1 (0.40) | KDRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL948537 | 0.90 | KDR (0.40) | KDRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL15520154 | 0.89 | KDR (0.35) | KDRALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL15520811 | 0.88 | ALDH1A1 (0.35) | KDRALDH1A1KDM4EHPGDTSHR | |
| SCHEMBL15520299 | 0.87 | CHEK1 (0.48) | CHEK1 | |
| SCHEMBL949594 | 0.85 | CHEK1 (0.39) | KDRCHEK1ALDH1A1KDM4EHPGD | |
| SCHEMBL15520241 | 0.82 | SCD (0.35) | KDRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL951181 | 0.82 | RPS6KA2 (0.38) | KDRCHEK1ALDH1A1BCHEMAOA | |
| SCHEMBL12946381 | 0.82 | RPS6KA2 (0.38) | KDRCHEK1ALDH1A1BCHEMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2294065-B1 | INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY | VERNALIS R&D LTD (GB) | 2014-03-19 | — | — | EP | claimed |