Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.33 |
| ▸ | MTOR | P42345 | 3/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3771652 | 0.99 | PIK3CA (0.32) | PIK3CAMTORNTRK1PIK3CDPIK3CB | |
| SCHEMBL3151394 | 0.87 | NTRK1 (0.33) | NTRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL3784272 | 0.86 | NTRK1 (0.33) | NTRK1ROCK2 | |
| Hydrochloric Acid SCHEMBL3767798 | 0.83 | MAP4K4 (0.35) | — | |
| SCHEMBL3142559 | 0.76 | PIK3CD (0.34) | PIK3CAPIK3CDPIK3CBPIK3CGCYP11B1 | |
| SCHEMBL3145932 | 0.76 | CHRNB4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3772951 | 0.75 | PIK3CD (0.33) | PIK3CAPIK3CDPIK3CBPIK3CGCYP11B1 | |
| SCHEMBL3142568 | 0.75 | ROCK2 (0.36) | CYP11B1CYP11B2ROCK2 | |
| SCHEMBL3151038 | 0.74 | ABL1 (0.33) | — | |
| SCHEMBL3779179 | 0.74 | ROCK2 (0.32) | PIK3CAMTORROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1979321-B9 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2010-02-17 | — | — | EP | disclosed |
| EP-1979321-B1 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SERVIER LAB (FR) | 2009-07-29 | — | — | EP | disclosed |