Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.52 |
| ▸ | IGF1R | P08069 | 2/20 | 0.52 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.52 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.52 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.46 |
| ▸ | USP2 | O75604 | 9/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | BLK | P51451 | 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 | |
|---|---|---|---|---|
| SCHEMBL28090367 | 0.81 | BTK (0.43) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL25962809 | 0.77 | BLK (0.45) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL30099093 | 0.76 | GSK3B (0.56) | CYP1A2CYP3A4USP2CASP1CASP7 | |
| SCHEMBL28090539 | 0.75 | NTRK1 (0.55) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL28090395 | 0.75 | NTRK1 (0.55) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL15145750 | 0.75 | BTK (0.62) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| Hydrochloric Acid SCHEMBL30760859 | 0.74 | NTRK1 (0.53) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL15145751 | 0.73 | BTK (0.55) | NTRK1IGF1RFGFR1NTRK2NTRK3 | |
| SCHEMBL18853843 | 0.73 | MAPK8 (0.56) | CYP1A2CYP3A4USP2CASP1CASP7 | |
| SCHEMBL20239020 | 0.71 | BLK (0.53) | NTRK1IGF1RFGFR1NTRK2NTRK3 |
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-106279172-A | Purinone compound as inhibitors of kinases | 药品循环有限责任公司 | 2017-01-04 | — | — | CN | disclosed |
| CN-104640861-B | Purinone compounds as kinase inhibitors | 药品循环公司 | 2016-08-24 | — | — | CN | disclosed |