Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.32 |
| ▸ | HTR3A | P46098 | 3/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6598547 | 0.83 | CYP2A6 (0.66) | CYP2A6MRGPRX4PTPRCPTPN6PTPN11 | |
| SCHEMBL17256151 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4SIGMAR1DYRK1ASLC6A2 | |
| SCHEMBL1894396 | 0.79 | CYP2A6 (0.71) | CYP2A6MRGPRX4 | |
| SCHEMBL16693064 | 0.79 | ALDH1A1 (0.52) | CYP2A6 | |
| SCHEMBL11766607 | 0.75 | RELA (0.55) | CYP2A6 | |
| SCHEMBL3796695 | 0.74 | KMT2A (0.52) | CYP2A6 | |
| SCHEMBL19526466 | 0.72 | CYP2A6 (0.40) | CYP2A6SIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2056161 | 0.72 | CYP2A6 (0.40) | CYP2A6MRGPRX4SIGMAR1SLC6A2SLC6A4 | |
| SCHEMBL29766115 | 0.71 | ESR1 (0.44) | CYP2A6MRGPRX4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL911044 | 0.71 | ESR1 (0.44) | CYP2A6MRGPRX4SLC6A2SLC6A4SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1385833-A1 | TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS | Amgen Inc. (US) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002083654-A1 | TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS | AMGEN INC. (US) | 2002-10-24 | — | — | WO | disclosed |