Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 7/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | SCN4A | P35499 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.61 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.61 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.61 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.61 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 8/20 | 0.40 |
| ▸ | PGK1 | P00558 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15838650 | 0.85 | SCN9A (0.66) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL6373942 | 0.84 | SCN9A (0.56) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL16546616 | 0.83 | CYP2D6 (0.57) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL18720948 | 0.81 | SCN9A (0.61) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL6374638 | 0.80 | SCN9A (0.53) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL3703488 | 0.79 | SCN9A (0.58) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| Lamotrigine SCHEMBL3977736 | 0.78 | SCN9A (0.83) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| SCHEMBL30800622 | 0.77 | CYP2D6 (0.56) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| Lamotrigine SCHEMBL3986369 | 0.77 | SCN9A (0.81) | SCN9AMAPK1CYP2D6MAOAADRA1A | |
| Lamotrigine SCHEMBL722975 | 0.76 | SCN9A (1.00) | SCN9AMAPK1CYP2D6MAOAADRA1A |
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-0021121-A1 | 1,2,4-Triazine derivatives, process for preparing such compounds and pharmaceutical compositions containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1981-01-07 | — | — | EP | disclosed |