Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30738732 | 0.79 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL4631199 | 0.75 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL1961849 | 0.75 | SLC6A2 (0.57) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL28227466 | 0.74 | SSTR4 (0.47) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL28228207 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL3081451 | 0.71 | — | — | |
| SCHEMBL7408917 | 0.71 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3MLNRADRB2 | |
| SCHEMBL12206944 | 0.70 | — | — | |
| SCHEMBL516648 | 0.70 | — | — | |
| SCHEMBL11572913 | 0.70 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MLNRADRB2 |
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-104487434-B | Double cyclosubstituted pyrimidines | 山东轩竹医药科技有限公司 | 2018-05-22 | — | — | CN | disclosed |