Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | KDM5A | P29375 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4748618 | 0.81 | DRD2 (0.36) | KDM4CMAPK1KDM4ACYP2D6NPC1 | |
| SCHEMBL3006374 | 0.80 | TRPM8 (0.46) | — | |
| SCHEMBL3019137 | 0.80 | LHCGR (0.42) | TRPV1ALDH1A1 | |
| SCHEMBL4694626 | 0.78 | PSEN1 (0.33) | MTNR1BAKR1C3SLC6A4 | |
| SCHEMBL4695904 | 0.76 | PDPK1 (0.36) | ALDH1A1HTT | |
| SCHEMBL4751235 | 0.69 | GRIN2B (0.43) | SRD5A1MTNR1B | |
| SCHEMBL1340154 | 0.66 | PIN1 (0.50) | SRD5A1MTNR1BKDM4CTRPV1KDM5A | |
| SCHEMBL1337775 | 0.66 | PIN1 (0.50) | SRD5A1MTNR1BKDM4CTRPV1KDM5A | |
| SCHEMBL1340548 | 0.66 | PIN1 (0.50) | SRD5A1MTNR1BKDM4CTRPV1KDM5A | |
| SCHEMBL3019020 | 0.66 | HSD11B1 (0.40) | RORC |
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-1910374-A1 | AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007007069-A1 | AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |