Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3151086 | 0.99 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL4611397 | 0.88 | KDM1A (0.36) | — | |
| SCHEMBL3155954 | 0.87 | FFAR4 (0.40) | — | |
| SCHEMBL3145939 | 0.84 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL3155310 | 0.83 | ABL1 (0.41) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL3780667 | 0.83 | GABRG2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| SCHEMBL3145803 | 0.83 | DDT (0.39) | CYP3A4CYP2C9 | |
| SCHEMBL3147256 | 0.82 | KDM1A (0.41) | CYP1A2CYP3A4CYP2D6CYP2C19MAPK1 | |
| Hydrochloric Acid SCHEMBL3767934 | 0.82 | DDT (0.38) | CYP3A4CYP2C9 | |
| SCHEMBL3145932 | 0.81 | CHRNB4 (0.39) | — |
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-A1 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Les Laboratoires Servier (FR) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007085750-A1 | NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2007-08-02 | — | — | WO | disclosed |