Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 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 | |
|---|---|---|---|---|
| SCHEMBL22191144 | 0.83 | PGR (0.51) | SIRT2CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL22191190 | 0.82 | CHRM1 (0.46) | SIRT2CHRM1CHRM2CHRM4CHRM3 | |
| SCHEMBL14250830 | 0.78 | LMNA (0.45) | BACE1 | |
| SCHEMBL13823764 | 0.77 | OPRM1 (0.61) | HTR1ADRD2HTR2ADRD3ADRA2A | |
| SCHEMBL28604447 | 0.76 | OPRM1 (0.60) | HTR1ADRD2HTR2ADRD3ADRA2A | |
| SCHEMBL10316252 | 0.76 | DRD2 (0.76) | HTR1ADRD2HTR2ADRD3ADRA2A | |
| SCHEMBL18198763 | 0.74 | CA1 (0.38) | BACE1 | |
| SCHEMBL5004813 | 0.74 | BACE1 (0.33) | HTR1ADRD2HTR2ADRD3ADRA2A | |
| SCHEMBL14515170 | 0.73 | OPRM1 (0.60) | HTR1ADRD2HTR2ADRD3ADRA2A | |
| SCHEMBL4152396 | 0.73 | CYP2D6 (0.70) | DRD2PLD1CHRM1CHRM2CHRM4 |
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-113166139-A | Pyrrolo [2,3-b ] pyridines as HPK1 inhibitors and uses thereof | 百济神州有限公司 | 2021-07-23 | — | — | CN | disclosed |