Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL21407891 | 0.80 | MLYCD (0.39) | SLC6A3SLC6A2SLC6A4MLYCDSIGMAR1 | |
| SCHEMBL21422366 | 0.80 | MLYCD (0.39) | SLC6A3SLC6A2SLC6A4MLYCDSIGMAR1 | |
| SCHEMBL2655175 | 0.80 | SLC6A3 (0.54) | SLC6A3SLC6A2SLC6A4MLYCDSIGMAR1 | |
| SCHEMBL15778276 | 0.79 | SLC6A3 (0.53) | SLC6A3SLC6A2SLC6A4CYP1A2CYP3A4 | |
| SCHEMBL8988251 | 0.77 | MLYCD (0.45) | SLC6A3SLC6A2SLC6A4MLYCDHSP90AA1 | |
| SCHEMBL31701648 | 0.76 | SLC6A4 (0.47) | SLC6A3SLC6A2SLC6A4SIGMAR1CYP1A2 | |
| SCHEMBL256724 | 0.76 | MLYCD (0.44) | SLC6A3MLYCDSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL1438344 | 0.76 | MLYCD (0.48) | SLC6A3MLYCDTSHRTAS1R3TAS1R1 | |
| SCHEMBL31073591 | 0.76 | MLYCD (0.48) | SLC6A3MLYCDTSHRTAS1R3TAS1R1 | |
| SCHEMBL3706341 | 0.76 | MEN1 (0.58) | SLC6A3MLYCDTSHRHSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3760616-A1 | 4-METHYLDIHYDROPYRIMIDINONE COMPOUND AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 2021-01-06 | — | — | EP | disclosed |