Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29698806 | 0.82 | CYP2A6 (0.50) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL155613 | 0.82 | CYP2A6 (0.50) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6399446 | 0.82 | CYP2A6 (0.54) | CYP2A6CYP1A2PDE10ASLC6A2SLC6A4 | |
| SCHEMBL19117599 | 0.81 | CYP2A6 (0.58) | CYP2A6CYP1A2PDE10ASLC5A2PTPRC | |
| SCHEMBL2871223 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP1A2PDE10ASLC6A2SLC6A4 | |
| SCHEMBL28744582 | 0.77 | CYP2A6 (0.50) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1601703 | 0.76 | CYP2A6 (0.59) | CYP2A6PDE10ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19155361 | 0.75 | CYP2A6 (0.46) | CYP2A6CYP1A2SIGMAR1 | |
| Oxirane SCHEMBL826986 | 0.74 | SLC6A2 (0.45) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1774025 | 0.73 | CYP2A6 (0.66) | CYP2A6CYP1A2PDE10ASLC6A2SLC6A4 |
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-3327018-A1 | COMPOUND HAVING EP2 AGONISTIC ACTIVITY | ONO Pharmaceutical Co., Ltd. (JP) | 2018-05-30 | — | — | EP | disclosed |