Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 4/20 | 0.46 |
| ▸ | AXL | P30530 | 3/20 | 0.46 |
| ▸ | RET | P07949 | 2/20 | 0.46 |
| ▸ | KIT | P10721 | 2/20 | 0.46 |
| ▸ | FLT3 | P36888 | 2/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468984 | 0.89 | ALDH1A1 (0.53) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL13906173 | 0.85 | MET (0.48) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL13927461 | 0.85 | MET (0.48) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL105644 | 0.84 | ALDH1A1 (0.48) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL2286282 | 0.84 | ALDH1A1 (0.48) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL29693549 | 0.83 | MET (0.54) | METKDRAXLRETKIT | |
| SCHEMBL4401200 | 0.83 | MET (0.54) | METKDRAXLRETKIT | |
| SCHEMBL23982911 | 0.83 | ALDH1A1 (0.47) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL13271309 | 0.83 | ALDH1A1 (0.50) | METALDH1A1GAAHDAC1KDR | |
| SCHEMBL4398555 | 0.83 | GAA (0.53) | METALDH1A1GAAHDAC1KDR |
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-2012044572-A1 | DUAL INHIBITORS OF MET AND VEGF FOR THE TREATMENT OF CASTRATION- RESISTANT PROSTATE CANCER AND OSTEOBLASTIC BONE METASTASES | EXELIXIS, INC. (US) | 2012-04-05 | — | — | WO | disclosed |