Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL16827418 | 0.97 | AOC3 (0.47) | AOC3MEN1KMT2AHTR2ANPC1 | |
| SCHEMBL16848246 | 0.86 | AOC3 (0.48) | AOC3HTR2ANPC1PKMRAB9A | |
| SCHEMBL16827580 | 0.84 | AOC3 (0.46) | AOC3MEN1KMT2AHTR2ANPC1 | |
| SCHEMBL16848192 | 0.83 | AOC3 (0.48) | AOC3HTR2ANPC1PKMRAB9A | |
| SCHEMBL16827555 | 0.82 | AOC3 (0.48) | AOC3HTR2ANPC1PKMRAB9A | |
| SCHEMBL16827378 | 0.81 | CYP24A1 (0.49) | AOC3HTR2ANPC1PKMRAB9A | |
| SCHEMBL16848194 | 0.81 | AOC3 (0.49) | AOC3NPC1PKMRAB9APDE4A | |
| SCHEMBL16848202 | 0.81 | AOC3 (0.61) | AOC3MEN1KMT2AHTR2ANPC1 | |
| SCHEMBL29438613 | 0.80 | PDE4A (0.55) | AOC3NPC1PKMRAB9APDE4A | |
| SCHEMBL29438611 | 0.80 | PDE4A (0.55) | AOC3NPC1PKMRAB9APDE4A |
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 |