Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.50 |
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL13994811 | 0.98 | GABRA1 (0.52) | GABRA1GABRB2PNMTDPP4TAAR1 | |
| Hydrochloric Acid SCHEMBL4599374 | 0.95 | GABRA1 (0.50) | GABRA1GABRB2PNMTDPP4TAAR1 | |
| SCHEMBL840750 | 0.85 | GABRA1 (0.64) | GABRA1GABRB2TAAR1SLC6A2SLC6A4 | |
| SCHEMBL27787183 | 0.84 | SLC6A2 (0.54) | PNMTTAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5174943 | 0.83 | GABRA1 (0.61) | GABRA1GABRB2TAAR1SLC6A2SLC6A4 | |
| SCHEMBL5174936 | 0.83 | GABRA1 (0.61) | GABRA1GABRB2TAAR1SLC6A2SLC6A4 | |
| Hydrogen Peroxide SCHEMBL5685702 | 0.80 | GABRA1 (0.65) | GABRA1GABRB2TAAR1SLC6A2SLC6A4 | |
| SCHEMBL19553768 | 0.78 | PNMT (0.54) | GABRA1GABRB2PNMTDPP4TAAR1 | |
| SCHEMBL10781796 | 0.78 | PNMT (0.40) | PNMTDPP4TAAR1SLC6A2SLC6A4 | |
| SCHEMBL28127449 | 0.78 | PNMT (0.40) | GABRA1GABRB2PNMTDPP4TAAR1 |
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-109678724-A | A kind of novel synthesis of 2- methyl-1-the third aminated compounds of substituted-phenyl-2- | 常州大学 | 2019-04-26 | — | — | CN | disclosed |