Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | SCN4A | P35499 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.50 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.50 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.50 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.50 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 15/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902796 | 0.90 | SCN9A (0.50) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL979470 | 0.85 | CYP2D6 (0.42) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL8903239 | 0.82 | SCN9A (0.55) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL977140 | 0.80 | SCN9A (0.53) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL1022649 | 0.79 | SCN9A (0.47) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL978559 | 0.76 | SCN9A (0.46) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL4015954 | 0.74 | SCN9A (0.71) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL978690 | 0.71 | CYP2D6 (0.46) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL4014568 | 0.71 | SCN9A (0.71) | SCN9ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL4012175 | 0.70 | CYP2D6 (0.57) | SCN9ACYP2D6MAOAMAPK1ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020827-A1 | FLUOROPHENYL-TRIAZINE AND PYRIMIDINE DERIVATIVES AS COMPOUNDS ACTING ON THE CENTRAL NERVOUS SYSTEM | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1997-06-12 | — | — | WO | disclosed |