Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | GPX4 | P36969 | 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 | |
|---|---|---|---|---|
| SCHEMBL4713689 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1HPGDCYP2C19 | |
| SCHEMBL1574480 | 0.79 | GRIN2B (0.55) | ALDH1A1HPGDRAB9AMAPTMEN1 | |
| SCHEMBL4713873 | 0.76 | HRH3 (0.38) | ALDH1A1TDP1CYP2D6MEN1KMT2A | |
| SCHEMBL11505676 | 0.75 | TP53 (0.41) | HPGDTDP1MAPTTP53MEN1 | |
| SCHEMBL4716542 | 0.75 | LMNA (0.41) | ALDH1A1LMNACYP3A4CYP2D6MAPK1 | |
| SCHEMBL4710667 | 0.75 | OPRM1 (0.38) | ALDH1A1LMNAHPGDNOTUM | |
| SCHEMBL4714260 | 0.75 | MEN1 (0.43) | ALDH1A1LMNAUSP2NPC1RAB9A | |
| SCHEMBL4716576 | 0.74 | ALDH1A1 (0.40) | ALDH1A1LMNAHPGDRAB9AMEN1 | |
| SCHEMBL11691611 | 0.74 | POLB (0.43) | LMNATDP1NPC1RAB9AMAPT | |
| SCHEMBL1574645 | 0.74 | NPC1 (0.47) | ALDH1A1HPGDNPC1RAB9AMAPT |
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-1933830-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | Vernalis (R&D) Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007007057-A1 | ANTAGONISTS OF SNS SODIUM CHANNELS | VERNALIS (R & D) LIMITED (GB) | 2007-01-18 | — | — | WO | disclosed |