Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 4/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL16827321 | 0.88 | AOC3 (0.48) | AOC3NPC1PKMRAB9AMAOB | |
| SCHEMBL16827453 | 0.86 | AOC3 (0.47) | AOC3NPC1PKMRAB9AMIF | |
| SCHEMBL16827327 | 0.86 | AOC3 (0.47) | AOC3NPC1PKMRAB9AMIF | |
| SCHEMBL16827329 | 0.86 | AOC3 (0.47) | AOC3NPC1PKMRAB9AMIF | |
| SCHEMBL16848202 | 0.86 | AOC3 (0.61) | AOC3NPC1PKMRAB9ASMN1; SMN2 | |
| SCHEMBL16827362 | 0.85 | PDE4A (0.55) | AOC3NPC1PKMRAB9A | |
| SCHEMBL29438613 | 0.85 | PDE4A (0.55) | AOC3NPC1PKMRAB9A | |
| SCHEMBL29438611 | 0.85 | PDE4A (0.55) | AOC3NPC1PKMRAB9A | |
| SCHEMBL12870758 | 0.84 | AOC3 (0.58) | AOC3NPC1PKMRAB9AMIF | |
| SCHEMBL16848253 | 0.82 | AOC3 (0.47) | AOC3NPC1PKMRAB9AALDH1A1 |
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 |