Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL9846958 | 0.83 | IDO1 (0.43) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL7039235 | 0.78 | CYP2D6 (0.41) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL7464343 | 0.78 | EPHX1 (0.52) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL15972964 | 0.75 | EPHX1 (0.41) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL9846993 | 0.74 | KDM4E (0.44) | ROCK2 | |
| SCHEMBL8867023 | 0.73 | SLC6A2 (0.66) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL2477113 | 0.72 | CYP2D6 (0.55) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| SCHEMBL9041648 | 0.72 | POLB (0.51) | SIGMAR1CYP3A4CYP2C9CYP2C19AKT1 | |
| Hydrochloric Acid SCHEMBL9321422 | 0.72 | SLC6A2 (0.63) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 | |
| Hydrochloric Acid SCHEMBL6633931 | 0.71 | CYP2D6 (0.54) | SLC6A2SLC6A4SLC6A3EPHX1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0435222-A2 | Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-07-03 | — | — | EP | disclosed |