Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21259925 | 0.81 | KCNN4 (0.38) | LMNAKCNA5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2289154 | 0.76 | — | — | |
| SCHEMBL28643199 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29571827 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28643197 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24931445 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28921258 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24968597 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28921359 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29571429 | 0.76 | KDM4E (0.33) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 |
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-7989394-B2 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2011-08-02 | — | — | US | disclosed |