Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | 0.82 | AOC3 (0.48) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16827356 | 0.82 | AOC3 (0.45) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16827483 | 0.81 | AOC3 (0.43) | AOC3NPC1PKMRAB9ACYP26A1 | |
| SCHEMBL16827383 | 0.81 | AOC3 (0.46) | AOC3SRD5A1CYP26A1HTR2AHTR2C | |
| SCHEMBL16848202 | 0.80 | AOC3 (0.61) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16848248 | 0.80 | AOC3 (0.48) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16827452 | 0.79 | AOC3 (0.47) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16827346 | 0.77 | AOC3 (0.47) | AOC3NPC1PKMRAB9ASRD5A1 | |
| SCHEMBL16848189 | 0.77 | AOC3 (0.44) | AOC3NPC1PKMRAB9APRMT5 | |
| SCHEMBL16827362 | 0.77 | 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 |