Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.45 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1953356 | 0.88 | ALDH1A1 (0.49) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL4215653 | 0.79 | CYP3A4 (0.64) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL30181876 | 0.79 | CYP3A4 (0.64) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL23412137 | 0.79 | CYP3A4 (0.68) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL619653 | 0.79 | RAB9A (0.59) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL29831778 | 0.79 | RAB9A (0.59) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL10090158 | 0.78 | CYP3A4 (0.59) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL29096117 | 0.77 | PDGFRB (0.62) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| Benzene SCHEMBL27716393 | 0.77 | CYP3A4 (0.61) | CYP3A4PDE10AALDH1A1PDGFRBPDGFRA | |
| SCHEMBL19683350 | 0.77 | AGXT (0.42) | CYP1A2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |