Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.42 |
| ▸ | LPO | P22079 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29159457 | 1.00 | TAAR1 (0.47) | TAAR1IDO1AGXTGRIN2BGRIN1 | |
| SCHEMBL29159466 | 0.80 | ALDH1A1 (0.49) | TAAR1IDO1AGXTGRIN2B | |
| SCHEMBL9944308 | 0.79 | IDO1 (0.54) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL17219243 | 0.79 | IDO1 (0.54) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL9490171 | 0.79 | TAAR1 (0.60) | TAAR1IDO1AGXTCHRM2CHRM1 | |
| SCHEMBL29159444 | 0.78 | TAAR1 (0.43) | TAAR1IDO1MAOBCTBP2 | |
| SCHEMBL30799472 | 0.78 | TAAR1 (0.43) | TAAR1IDO1MAOBCTBP2 | |
| SCHEMBL24343471 | 0.77 | CHRM5 (0.62) | TAAR1IDO1AGXTGRIN2BGRIN1 | |
| SCHEMBL13913422 | 0.77 | TAAR1 (0.47) | TAAR1IDO1AGXTGRIN2BGRIN1 | |
| SCHEMBL30799298 | 0.77 | MIF (0.49) | TAAR1IDO1AGXTGRIN2BMAOB |
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 |
|---|---|---|---|---|---|---|---|
| CN-117603248-A | Alkynyl-containing aromatic amine compound and preparation method thereof | 西南医科大学 | 2024-02-27 | — | — | CN | disclosed |