Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC5 | O15392 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10193341 | 0.90 | ROCK1 (0.55) | ROCK1HTR2CPDGFRBPDGFRAL3MBTL1 | |
| SCHEMBL5735721 | 0.84 | ROCK1 (0.50) | ROCK1HTR2CPDGFRBPDGFRAL3MBTL1 | |
| SCHEMBL29690879 | 0.84 | ROCK1 (0.50) | ROCK1HTR2CPDGFRBPDGFRAL3MBTL1 | |
| SCHEMBL8174904 | 0.84 | KCNH2 (0.60) | ROCK1HTR2CCYP19A1PDGFRBPDGFRA | |
| SCHEMBL1144469 | 0.84 | FGFR1 (0.55) | ROCK1HTR2CPDGFRBPDGFRAL3MBTL1 | |
| SCHEMBL28592553 | 0.80 | MIF (0.54) | KDM4EALDH1A1HPGDSMN1; SMN2MIF | |
| SCHEMBL5605304 | 0.79 | ROCK1 (0.51) | ROCK1HTR2CPDGFRBPDGFRAL3MBTL1 | |
| SCHEMBL6297057 | 0.79 | MEN1 (0.46) | ROCK1L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL5427894 | 0.79 | ROCK1 (0.51) | ROCK1AKR1C3AKR1C2HTR2CCYP19A1 | |
| SCHEMBL21925190 | 0.78 | ALDH1A1 (0.57) | ROCK1HTR2CPDGFRBPDGFRAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008107322-A1 | INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS | CEREP (FR) | 2008-09-12 | — | — | WO | disclosed |