Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7389114 | 0.81 | SCN2A (0.53) | SCN2ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL7384520 | 0.78 | NPC1 (0.37) | HSP90AB1DHFR | |
| SCHEMBL9848562 | 0.77 | SCN9A (0.57) | SCN2ACYP2D6MAOAMAPK1ADRA1A | |
| SCHEMBL28151207 | 0.70 | DHFR (0.38) | MAPK1DHFR | |
| SCHEMBL7279386 | 0.70 | DHFR (0.53) | SCN2ADHFR | |
| SCHEMBL1503430 | 0.70 | ALDH1A1 (0.48) | MAPK1 | |
| SCHEMBL7382072 | 0.69 | ADORA2A (0.46) | CYP2D6ADRA1AHSP90AB1DHFR | |
| SCHEMBL28152101 | 0.68 | DHFR (0.36) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL7380268 | 0.68 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL7380027 | 0.66 | ADORA2A (0.51) | CYP2D6ADRA1AHSP90AB1DHFR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |