Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.40 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30824556 | 1.00 | TAAR1 (0.54) | TAAR1CD274PDCD1LG2HRH1CYP3A4 | |
| SCHEMBL2936969 | 1.00 | TAAR1 (0.54) | TAAR1CD274PDCD1LG2HRH1CYP3A4 | |
| SCHEMBL29793607 | 1.00 | TAAR1 (0.54) | TAAR1CD274PDCD1LG2HRH1CYP3A4 | |
| SCHEMBL18793289 | 1.00 | TAAR1 (0.54) | TAAR1CD274PDCD1LG2HRH1CYP3A4 | |
| Hydrochloric Acid SCHEMBL15994343 | 0.98 | TAAR1 (0.52) | TAAR1CD274PDCD1LG2HRH1CYP3A4 | |
| SCHEMBL179528 | 0.83 | TAAR1 (0.42) | TAAR1HRH1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL29337164 | 0.82 | TAAR1 (0.43) | TAAR1HRH1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL522063 | 0.80 | CYP1A2 (0.38) | TAAR1CD274PDCD1LG2CYP3A4CYP2D6 | |
| SCHEMBL38661915 | 0.80 | CYP3A4 (0.44) | TAAR1HRH1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL4196024 | 0.80 | CYP3A4 (0.44) | TAAR1HRH1CYP3A4CYP2D6SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | disclosed |
| WO-2010059922-A1 | PYRROLIDINE CARBOXAMIDE COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2010-05-27 | — | — | WO | disclosed |