Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818535 | 0.89 | CYP1A2 (0.47) | TAAR1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL25833598 | 0.82 | TAAR1 (0.61) | TAAR1CYP1A2CYP2C19HRH3MEN1 | |
| SCHEMBL18112907 | 0.81 | CYP2C9 (0.55) | TAAR1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL25857097 | 0.79 | TAAR1 (0.57) | TAAR1CYP1A2CYP2C19HRH3MEN1 | |
| SCHEMBL6249755 | 0.79 | TAAR1 (0.57) | TAAR1CYP1A2CYP2C19HRH3MEN1 | |
| SCHEMBL2657319 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2D6CYP2C9NPSR1 | |
| SCHEMBL1363945 | 0.76 | TAAR1 (0.52) | TAAR1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL4444493 | 0.76 | CYP1A2 (0.46) | TAAR1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL10263919 | 0.76 | NPSR1 (0.50) | CYP1A2CYP2C19CYP2D6CYP2C9NPSR1 | |
| Hydrochloric Acid SCHEMBL17823096 | 0.75 | TAAR1 (0.50) | TAAR1CYP1A2CYP2C19CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023135233-A1 | AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS | AGV DISCOVERY (FR) | 2023-07-20 | — | — | WO | disclosed |