Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 6/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.32 |
| ▸ | CDC7 | O00311 | 4/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.32 |
| ▸ | AKT1 | P31749 | 3/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.30 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL627649 | 0.84 | ROCK1 (0.32) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925726 | 0.84 | CYP19A1 (0.35) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925715 | 0.84 | CYP19A1 (0.35) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925709 | 0.84 | CYP19A1 (0.35) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925751 | 0.83 | CDC7 (0.40) | CDC7DBF4FFAR2 | |
| SCHEMBL15925691 | 0.83 | CYP19A1 (0.33) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925700 | 0.83 | CYP19A1 (0.33) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925722 | 0.83 | CYP19A1 (0.33) | CYP19A1GCGRMAPK14ROCK1CDC7 | |
| SCHEMBL15925718 | 0.82 | AKT1 (0.51) | CYP19A1GCGRROCK1CDC7DBF4 | |
| SCHEMBL15925714 | 0.79 | SMN1; SMN2 (0.38) | CYP19A1ROCK1CDC7DBF4AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8796271-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |