Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP24A1 | Q07973 | 3/20 | 0.49 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 7/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16848194 | 0.84 | AOC3 (0.49) | CYP24A1CYP26A1AOC3NPC1PKM | |
| SCHEMBL16848246 | 0.83 | AOC3 (0.48) | CYP24A1CYP26A1AOC3SIGMAR1NPC1 | |
| SCHEMBL16827555 | 0.83 | AOC3 (0.48) | CYP24A1CYP26A1AOC3SIGMAR1NPC1 | |
| SCHEMBL16848068 | 0.82 | AOC3 (0.47) | AOC3NPC1PKMRAB9AHTR2A | |
| SCHEMBL16827418 | 0.82 | AOC3 (0.47) | AOC3SIGMAR1NPC1PKMRAB9A | |
| SCHEMBL16848202 | 0.82 | AOC3 (0.61) | AOC3NPC1PKMRAB9ADRD2 | |
| SCHEMBL16827580 | 0.81 | AOC3 (0.46) | CYP24A1CYP26A1AOC3SIGMAR1NPC1 | |
| SCHEMBL16848070 | 0.81 | AOC3 (0.46) | AOC3SIGMAR1NPC1PKMRAB9A | |
| SCHEMBL29438611 | 0.81 | PDE4A (0.55) | AOC3NPC1PKMRAB9A | |
| SCHEMBL29438613 | 0.81 | PDE4A (0.55) | AOC3NPC1PKMRAB9A |
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-2015092634-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS AND COMPOSITIONS AS SELECTIVE ESTROGEN RECEPTOR ANTAGONISTS AND DEGRADERS | NOVARTIS AG (CH) | 2015-06-25 | — | — | WO | disclosed |