Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL15362252 | 0.80 | CYP1A2 (0.41) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL7437594 | 0.80 | TAAR1 (0.46) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL8625798 | 0.79 | ALDH1A1 (0.38) | TAAR1CYP1A2CYP2A6SLC6A2HTR2A | |
| SCHEMBL23458290 | 0.78 | TSHR (0.43) | TAAR1ACHESLC6A2HTR2ASLC6A4 | |
| SCHEMBL12063306 | 0.78 | TAAR1 (0.48) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL23458004 | 0.77 | ALDH1A1 (0.50) | SLC6A2HTR2ASLC6A4HRH1HTR2B | |
| SCHEMBL23458259 | 0.77 | IDO1 (0.47) | IDO1SLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL4433692 | 0.77 | TAAR1 (0.53) | TAAR1CYP1A2AGXTIDO1SLC6A4 | |
| SCHEMBL21410910 | 0.76 | SLC6A2 (0.46) | TAAR1CYP1A2CYP2A6AGXTIDO1 | |
| SCHEMBL10891421 | 0.76 | SLC6A2 (0.64) | TAAR1CYP1A2CYP2A6AGXTIDO1 |
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-4069418-A1 | PROCESS FOR PREPARING AMINES OVER A COPPER CATALYST | BASF SE (DE) | 2022-10-12 | — | — | EP | disclosed |
| WO-2021110472-A1 | PROCESS FOR PREPARING AMINES OVER A COPPER CATALYST | BASF SE (DE) | 2021-06-10 | — | — | WO | disclosed |