Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 2/20 | 0.31 |
| ▸ | BRAF | P15056 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL950079 | 0.89 | ALDH1A1 (0.41) | KLKB1ALDH1A1KDR | |
| SCHEMBL31060778 | 0.89 | ALDH1A1 (0.41) | KLKB1ALDH1A1KDR | |
| SCHEMBL950040 | 0.89 | KLKB1 (0.36) | KLKB1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12945028 | 0.86 | — | — | |
| SCHEMBL950481 | 0.83 | ALDH1A1 (0.42) | KLKB1PLA2G1BCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL964521 | 0.82 | ITK (0.36) | MAPTTAS2R8KDR | |
| SCHEMBL949097 | 0.81 | RPS6KA2 (0.40) | KLKB1ALDH1A1 | |
| SCHEMBL15520154 | 0.80 | KDR (0.35) | MAPTSMN1; SMN2ALDH1A1KDR | |
| SCHEMBL1002318 | 0.79 | CHEK1 (0.47) | — | |
| SCHEMBL951282 | 0.79 | ALDH1A1 (0.40) | KLKB1ALDH1A1KDR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011010083-A1 | INDOLYL-PYRIDONE DERIVATIVES | VERNALIS (R & D) LTD (GB) | 2011-01-27 | — | — | WO | claimed |
| WO-2011010083-A1 | INDOLYL-PYRIDONE DERIVATIVES | VERNALIS (R & D) LTD (GB) | 2011-01-27 | — | — | WO | disclosed |
| WO-2011010083-A1 | INDOLYL-PYRIDONE DERIVATIVES | VERNALIS (R & D) LTD (GB) | 2011-01-27 | — | — | WO | disclosed |