Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Octrizole SCHEMBL8599630 | 0.93 | NPC1 (0.45) | CYP3A4KCNH2SMN1; SMN2MEN1USP2 | |
| SCHEMBL22372500 | 0.91 | NPC1 (0.44) | CYP3A4KCNH2SMN1; SMN2MEN1MAPT | |
| SCHEMBL30157198 | 0.87 | CYP3A4 (0.50) | CYP3A4KCNH2SMN1; SMN2MEN1USP2 | |
| SCHEMBL1264030 | 0.87 | CYP3A4 (0.50) | CYP3A4KCNH2SMN1; SMN2MEN1USP2 | |
| Drometrizole SCHEMBL16212519 | 0.87 | NPC1 (0.56) | CYP3A4SMN1; SMN2MEN1MAPTKMT2A | |
| SCHEMBL11668139 | 0.86 | NPC1 (0.43) | CYP3A4MEN1TP53MAPTCASP1 | |
| Bumetrizole SCHEMBL3740116 | 0.85 | NPC1 (0.50) | KCNH2SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL29349567 | 0.84 | NPC1 (0.41) | CYP3A4MEN1MAPTMAPK1KMT2A | |
| SCHEMBL29241 | 0.84 | NPC1 (0.41) | CYP3A4MEN1MAPTMAPK1KMT2A | |
| SCHEMBL30510201 | 0.83 | CYP3A4 (0.38) | CYP3A4KCNH2SMN1; SMN2MEN1USP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6214929-B1 | FREE RADICAL POLYMERIZATION OF AN ETHYLENICALLY UNSATURATED MONOMER | BASF AKTIENGESELLSCAFT (DE) | 2001-04-10 | — | — | US | disclosed |
| EP-0779891-B1 | NOVEL ACYLPHOSPHINE OXIDES | CIBA GEIGY AG (CH) | 1998-12-23 | — | — | EP | disclosed |