Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 3/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11712657 | 0.90 | CYP3A4 (0.72) | CYP2D6CYP3A4TRPV1DPP4NPC1 | |
| SCHEMBL11543046 | 0.88 | CYP3A4 (0.69) | CYP2D6CYP3A4TRPV1 | |
| Trepipam SCHEMBL29374758 | 0.83 | CYP2D6 (1.00) | CYP2D6CYP3A4DRD1MTORKDM4E | |
| Trepipam SCHEMBL11704977 | 0.83 | CYP2D6 (1.00) | CYP2D6CYP3A4DRD1MTORKDM4E | |
| SCHEMBL9797437 | 0.81 | CYP3A4 (0.50) | CYP2D6CYP3A4TRPV1DPP4CHRNA7 | |
| Bromide SCHEMBL11539891 | 0.81 | KDM4E (0.72) | CYP2D6LMNADRD1MTORKDM4E | |
| SCHEMBL8393832 | 0.77 | PRCP (0.64) | CYP2D6CYP3A4TRPV1CHRNA7NPC1 | |
| Trepipam SCHEMBL29401068 | 0.75 | CYP2D6 (0.82) | CYP2D6CYP3A4TRPV1DRD1MTOR | |
| SCHEMBL10800464 | 0.75 | CYP3A4 (0.52) | CYP2D6CYP3A4 | |
| Fumaric Acid SCHEMBL9797372 | 0.74 | TRPV1 (0.47) | CYP2D6CYP3A4TRPV1NPC1MITF |
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-4052506-A | BENZAZEPINES | SMITHKLINE CORPORATION (US) | 1977-10-04 | — | — | US | disclosed |