Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.72 |
| ▸ | IDO1 | P14902 | 2/20 | 0.54 |
| ▸ | AGXT | P21549 | 2/20 | 0.54 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4572890 | 1.00 | TAAR1 (0.72) | TAAR1IDO1AGXTMAOBAOC3 | |
| SCHEMBL29194747 | 0.86 | TAAR1 (0.72) | TAAR1IDO1AGXTMAOBAOC3 | |
| SCHEMBL13349231 | 0.86 | TAAR1 (0.72) | TAAR1IDO1AGXTMAOBAOC3 | |
| SCHEMBL29337151 | 0.85 | TAAR1 (0.70) | TAAR1IDO1AGXTMAOBAOC3 | |
| SCHEMBL28244500 | 0.85 | TAAR1 (0.70) | TAAR1IDO1AGXTMAOBAOC3 | |
| (S)-M-Methoxyamphetamine SCHEMBL3293027 | 0.84 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL269071 | 0.84 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL30813013 | 0.84 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL11461072 | 0.84 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| Hydrochloric Acid SCHEMBL11695113 | 0.83 | TAAR1 (0.68) | TAAR1IDO1AGXTMAOBAOC3 |
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-117402081-A | Aryl substituted amine derivative, preparation method and application thereof | 南京医科大学 | 2024-01-16 | — | — | CN | disclosed |