Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827452 | 0.87 | AOC3 (0.47) | AOC3NR1H4MCHR1PRMT5WDR77 | |
| SCHEMBL12870758 | 0.84 | AOC3 (0.58) | AOC3PRMT5WDR77NPC1PKM | |
| SCHEMBL16848252 | 0.83 | AOC3 (0.48) | AOC3EGFRNPC1PKMRAB9A | |
| SCHEMBL16848189 | 0.80 | AOC3 (0.44) | AOC3PRMT5WDR77NPC1PKM | |
| SCHEMBL16827334 | 0.80 | AOC3 (0.46) | AOC3PRMT5WDR77DRD2DRD3 | |
| SCHEMBL16827371 | 0.78 | AOC3 (0.47) | AOC3NPBWR1MCHR1PRMT5WDR77 | |
| SCHEMBL16827493 | 0.78 | AOC3 (0.51) | AOC3NR1H4MCHR1PRMT5WDR77 | |
| SCHEMBL16848202 | 0.78 | AOC3 (0.61) | AOC3NPC1PKMRAB9ADRD2 | |
| SCHEMBL16848208 | 0.78 | AOC3 (0.45) | AOC3PRMT5WDR77NPC1PKM | |
| SCHEMBL14992060 | 0.78 | CYP11B2 (0.69) | AOC3CYP11B1CYP11B2CYP19A1 |
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 |