Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.39 |
| ▸ | PNMT | P11086 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6656641 | 0.85 | GABRA1 (0.46) | TAAR1PNMTGABRA1GABRB2IDO1 | |
| SCHEMBL7309326 | 0.84 | GABRA1 (0.44) | PPARGPPARAGABRA1GABRB2DAO | |
| SCHEMBL8082929 | 0.78 | TAAR1 (0.63) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL91132 | 0.78 | TAAR1 (0.60) | TAAR1PNMTHTTDAOSLC6A2 | |
| SCHEMBL11507567 | 0.77 | TAAR1 (0.45) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8094251 | 0.77 | ALDH1A1 (0.45) | TAAR1PNMTHTTSLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL14718471 | 0.77 | TAAR1 (0.61) | TAAR1PNMTSLC6A2SLC6A4SLC6A3 | |
| Formaldehyde SCHEMBL27848039 | 0.77 | TAAR1 (0.54) | TAAR1PNMTHTTDAOSLC6A2 | |
| Ammonia Solution, Strong SCHEMBL3789554 | 0.76 | TAAR1 (0.58) | TAAR1PNMTHTTDAOSLC6A2 | |
| SCHEMBL12719467 | 0.75 | TAAR1 (0.43) | TAAR1PNMTGABRA1GABRB2SLC6A2 |
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-107286074-B | 3- hydroxyl iso-indoles -1- ketone derivatives and preparation method thereof | 厦门华厦学院 | 2019-08-20 | — | — | CN | disclosed |