Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 0.46 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16848256 | 0.87 | AOC3 (0.46) | AOC3SRD5A1MAPK14NOTUMPRMT5 | |
| SCHEMBL16827445 | 0.84 | AOC3 (0.49) | AOC3SRD5A1MAPK14NOTUMGPR84 | |
| SCHEMBL16827416 | 0.84 | AOC3 (0.46) | AOC3SRD5A1MAPK14NOTUMPRMT5 | |
| SCHEMBL16827452 | 0.82 | AOC3 (0.47) | AOC3SRD5A1PRMT5WDR77DRD2 | |
| SCHEMBL22725975 | 0.82 | AOC3 (0.62) | AOC3SRD5A1MAPK14PRMT5WDR77 | |
| SCHEMBL29438630 | 0.82 | AOC3 (0.62) | AOC3SRD5A1MAPK14PRMT5WDR77 | |
| SCHEMBL16827489 | 0.81 | AOC3 (0.46) | AOC3SRD5A1MAPK14NOTUMPRMT5 | |
| SCHEMBL16827516 | 0.81 | AOC3 (0.44) | AOC3SRD5A1MAPK14NOTUMGPR84 | |
| SCHEMBL16827514 | 0.80 | AOC3 (0.48) | AOC3SRD5A1MAPK14NOTUM | |
| SCHEMBL16848199 | 0.80 | AOC3 (0.44) | AOC3PRMT5WDR77DRD2DRD4 |
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 2 patents. 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 |
| 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 |