Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GHSR | Q92847 | 2/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL16464114 | 0.88 | CYP11B1 (0.41) | HPGDHSD17B10GHSR | |
| SCHEMBL16462161 | 0.80 | CFTR (0.42) | HPGDHSD17B10CASP3SENP7SENP6 | |
| SCHEMBL27868247 | 0.79 | CAPN1 (0.40) | NPC1MET | |
| SCHEMBL19269422 | 0.72 | HPGD (0.42) | HPGDHSD17B10MAPK1HTTSMN1; SMN2 | |
| SCHEMBL27504681 | 0.69 | NPC1 (0.60) | NPC1GLO1GHSRMAP3K11ADORA2A | |
| SCHEMBL16464128 | 0.68 | KDR (0.47) | NPC1HPGDHSD17B10SMN1; SMN2CASP3 | |
| SCHEMBL16464315 | 0.68 | HPGD (0.47) | HPGDHSD17B10MAPK1SMN1; SMN2BRD4 | |
| SCHEMBL16463166 | 0.65 | HTR7 (0.41) | PARP1 | |
| SCHEMBL7662776 | 0.65 | COMT (0.49) | HPGDMAPK1SMN1; SMN2 | |
| SCHEMBL30462977 | 0.65 | HPGD (0.36) | HPGDHSD17B10MAPK1SMN1; SMN2PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| US-8629162-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-14 | — | — | US | disclosed |