Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | NPM1 | P06748 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28511571 | 0.89 | CHKA (0.54) | CHKA | |
| SCHEMBL28513456 | 0.85 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2D6TMEM97HRH3 | |
| SCHEMBL1239240 | 0.78 | SIGMAR1 (0.57) | SIGMAR1CYP1A2CYP2D6TMEM97HRH3 | |
| SCHEMBL28499871 | 0.78 | MELK (0.49) | ABL1FLT3CHKA | |
| SCHEMBL28506935 | 0.77 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2D6TMEM97HRH3 | |
| SCHEMBL28499941 | 0.71 | MAP4K1 (0.40) | CYP1A2CYP2D6HRH3IGF1R | |
| SCHEMBL2730391 | 0.71 | SIGMAR1 (0.57) | SIGMAR1HRH3KCNJ1KCNH2 | |
| SCHEMBL12880035 | 0.70 | HRH3 (0.75) | SIGMAR1CYP1A2CYP2D6TMEM97HRH3 | |
| SCHEMBL28517261 | 0.69 | HRH3 (0.38) | HRH3 | |
| SCHEMBL28517264 | 0.69 | HRH3 (0.38) | HRH3 |
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-112243439-A | Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-01-19 | — | — | CN | disclosed |