Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL20038349 | 0.89 | KCNH2 (0.47) | KCNH2DRD3ELANEOPRL1P2RX7 | |
| SCHEMBL20038400 | 0.85 | KCNH2 (0.45) | KCNH2DRD3ELANEP2RX7GRM4 | |
| SCHEMBL20037476 | 0.85 | HSP90AA1 (0.35) | KCNH2DRD3OPRM1OPRL1P2RX7 | |
| SCHEMBL20249369 | 0.84 | ALDH1A1 (0.38) | KCNH2DRD3OPRM1OPRL1SYK | |
| SCHEMBL18291187 | 0.80 | DRD3 (0.46) | KCNH2DRD3PIK3CAMTORELANE | |
| SCHEMBL18291667 | 0.80 | DRD3 (0.48) | KCNH2DRD3ELANEP2RX7GRM4 | |
| SCHEMBL18291670 | 0.80 | DRD3 (0.48) | KCNH2DRD3ELANEP2RX7GRM4 | |
| SCHEMBL20255395 | 0.79 | DRD3 (0.50) | KCNH2DRD3MTORELANEP2RX7 | |
| SCHEMBL20038200 | 0.76 | DRD3 (0.45) | KCNH2DRD3ELANEP2RX7GRM4 | |
| SCHEMBL18291351 | 0.76 | TLR8 (0.39) | KCNH2DRD3PIK3CAMTOROPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |