Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CASR | P41180 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL28539344 | 1.00 | SIGMAR1 (0.46) | SIGMAR1IDO1TDO2GAAACP3 | |
| SCHEMBL19289949 | 0.82 | MAPKAPK2 (0.43) | IDO1TDO2GAAMAPKAPK2MEN1 | |
| SCHEMBL16252302 | 0.82 | MAPKAPK2 (0.43) | IDO1TDO2GAAMAPKAPK2MEN1 | |
| SCHEMBL30763462 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GAAACP3MEN1KMT2A | |
| SCHEMBL8437895 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GAAACP3MEN1KMT2A | |
| SCHEMBL283979 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GAAACP3MEN1KMT2A | |
| SCHEMBL3749295 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GAAACP3MEN1KMT2A | |
| SCHEMBL1200137 | 0.81 | SIGMAR1 (0.61) | SIGMAR1GAAACP3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL607712 | 0.79 | SIGMAR1 (0.59) | SIGMAR1GAAACP3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL2469805 | 0.79 | SIGMAR1 (0.59) | SIGMAR1GAAACP3MEN1KMT2A |
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-108440307-B | Preparation method of chiral amine compound | 浙江工业大学 | 2020-11-17 | — | — | CN | disclosed |