Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVRL1 | P37023 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 17/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL27663138 | 0.86 | ACVRL1 (0.37) | ACVRL1FGFR1 | |
| SCHEMBL27974840 | 0.84 | TP53 (0.36) | ACVRL1ALDH1A1CYP3A4TSHRMAPK1 | |
| SCHEMBL27682734 | 0.82 | FGFR1 (0.36) | FGFR1 | |
| SCHEMBL763960 | 0.81 | FGFR1 (0.42) | FGFR1 | |
| SCHEMBL27663275 | 0.78 | KMT2A (0.42) | ALDH1A1CYP3A4FGFR1 | |
| SCHEMBL27663264 | 0.74 | KDR (0.45) | MAPK1FGFR1 | |
| SCHEMBL761901 | 0.74 | FGFR1 (0.36) | ALDH1A1CYP3A4TSHRMAPK1FGFR1 | |
| SCHEMBL742983 | 0.74 | EGFR (0.46) | ALDH1A1FGFR1 | |
| SCHEMBL27682729 | 0.73 | KDR (0.44) | MAPK1FGFR1 | |
| SCHEMBL28761004 | 0.72 | RIPK1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101820762-B | Pyrrolotriazine derivatives for treating cancer through inhibition of aurora kinase | BAYER HEALTHCARE LLC | 2014-07-30 | — | — | CN | disclosed |