Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 9/20 | 0.47 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827429 | 0.83 | AOC3 (0.48) | AOC3CYP26A1NPC1PKMRAB9A | |
| SCHEMBL16848202 | 0.79 | AOC3 (0.61) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16848248 | 0.79 | AOC3 (0.48) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16827326 | 0.78 | AOC3 (0.50) | AOC3CYP26A1NPC1PKMRAB9A | |
| SCHEMBL16827328 | 0.78 | AOC3 (0.50) | AOC3CYP26A1NPC1PKMRAB9A | |
| SCHEMBL16827502 | 0.78 | AOC3 (0.49) | AOC3NPC1PKMRAB9ANOTUM | |
| SCHEMBL16848251 | 0.77 | AOC3 (0.43) | AOC3CYP26A1NPC1PKMRAB9A | |
| SCHEMBL16827356 | 0.77 | AOC3 (0.45) | AOC3CYP26A1NPC1PKMRAB9A | |
| SCHEMBL16827415 | 0.76 | AOC3 (0.45) | AOC3PRMT5WDR77 | |
| SCHEMBL16827495 | 0.76 | AOC3 (0.50) | AOC3CYP26A1NPC1PKMRAB9A |
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 |