Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.43 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9257480 | 0.74 | SLC6A3 (0.34) | — | |
| SCHEMBL18823394 | 0.74 | CYP19A1 (0.49) | CYP19A1CYP11B2MAPKAPK2DAPK3ROCK2 | |
| SCHEMBL31388237 | 0.73 | PDE4A (0.44) | CYP19A1MAPK14PDE4APRCP | |
| SCHEMBL20475315 | 0.73 | SYK (0.38) | CYP19A1CYP11B2MAPK14MAPK13MAPK12 | |
| SCHEMBL8206213 | 0.73 | SLC6A2 (0.41) | NPC1RAB9A | |
| SCHEMBL16269909 | 0.72 | SLC6A2 (0.41) | — | |
| SCHEMBL29173225 | 0.71 | MAPKAPK2 (0.45) | CYP19A1MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL23882954 | 0.71 | DHODH (0.50) | CYP19A1CYP11B2MAPKAPK2DAPK3ROCK2 | |
| SCHEMBL8910330 | 0.71 | CYP19A1 (0.41) | CYP19A1CYP11B2MAPKAPK2DAPK3ROCK2 | |
| SCHEMBL22984539 | 0.71 | DHODH (0.50) | CYP19A1CYP11B2MAPKAPK2DAPK3ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5070087-A | Aryl(alkyland alkylene)-N-((phenoxy and phenylthio)alkyl) aminoheterocyclics as cardiovascular, anthihistaminic, antisecretory and antiallergy agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-12-03 | — | — | US | disclosed |
| US-4950674-A | Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment | A. H. ROBINS COMPANY, INCORPORATED (US) | 1990-08-21 | — | — | US | disclosed |