Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | XBP1 | P17861 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11712619 | 0.82 | ALDH1A1 (0.76) | NPC1ALDH1A1LMNAMITFXBP1 | |
| SCHEMBL7621097 | 0.81 | CYP3A4 (0.58) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| SCHEMBL7626318 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| SCHEMBL11712076 | 0.76 | ALDH1A1 (0.66) | NPC1ALDH1A1LMNAMITFXBP1 | |
| SCHEMBL7627140 | 0.75 | CYP3A4 (0.51) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| SCHEMBL7620240 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| SCHEMBL7625282 | 0.74 | CYP3A4 (0.49) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| SCHEMBL7626298 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP2D6NPC1ALDH1A1LMNA | |
| Trepipam SCHEMBL29374758 | 0.74 | CYP2D6 (1.00) | CYP3A4CYP2D6KMT2A | |
| Trepipam SCHEMBL11704977 | 0.74 | CYP2D6 (1.00) | CYP3A4CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-4005275-A | — | — | None | — | — | JP | disclosed |
| JP-H045275-A | 1-PHENYL-N(2-CHLOROETHYLCARBAMOYL)-7,8-DIMETHOXY-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE AND PREPARATION THEREOF | N I SEKTOR PRI VISSH MACHNO ELEKTROTECH INST LENIN | 1992-01-09 | — | — | JP | disclosed |