Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | ATP4A | P20648 | 2/20 | 0.39 |
| ▸ | ATP4B | P51164 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27768368 | 0.83 | F10 (0.47) | — | |
| SCHEMBL27747197 | 0.82 | ALDH1A1 (0.40) | TGFBR1ALDH1A1HPGDATP4AATP4B | |
| SCHEMBL27747194 | 0.79 | ALDH1A1 (0.43) | TGFBR1ALDH1A1HPGDPARP1ADORA3 | |
| SCHEMBL8626884 | 0.78 | NPSR1 (0.45) | ALDH1A1IKBKBADORA3 | |
| SCHEMBL10989255 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDHSP90AA1HSP90AB1ATP4A | |
| SCHEMBL4083577 | 0.76 | CA12 (0.50) | ALDH1A1HPGDIKBKB | |
| SCHEMBL27768099 | 0.75 | PARP1 (0.48) | TGFBR1TGFBR2BTKPARP1ADORA3 | |
| SCHEMBL1952638 | 0.75 | MEN1 (0.46) | ALDH1A1HPGD | |
| SCHEMBL4705063 | 0.74 | GRM4 (0.48) | TGFBR1ALDH1A1ADORA3 | |
| SCHEMBL28732669 | 0.74 | MAPT (0.44) | ALDH1A1HSP90AA1ADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101466710-B | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC | 2013-05-29 | — | — | CN | disclosed |
| CN-101466710-A | Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER HEALTHCARE LLC (US) | 2009-06-24 | — | — | CN | disclosed |