Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.30 |
| ▸ | WNT3A | P56704 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6734063 | 0.93 | CYP2A6 (0.41) | CYP2A6MRGPRX4OPRM1OPRK1PTGER4 | |
| SCHEMBL1863293 | 0.83 | CYP2A6 (0.66) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL29469368 | 0.83 | CYP2A6 (0.66) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL10230281 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL3150204 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4OPRM1OPRK1PTPRC | |
| SCHEMBL8058490 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL507426 | 0.79 | CYP2A6 (0.71) | CYP2A6MRGPRX4OPRM1OPRK1DYRK1A | |
| SCHEMBL154793 | 0.79 | CYP2A6 (0.47) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL6399446 | 0.78 | CYP2A6 (0.54) | CYP2A6OPRM1OPRK1SIGMAR1PTPRC | |
| SCHEMBL3799097 | 0.76 | CYP2A6 (0.43) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 |
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-1244616-A1 | (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES | SmithKline Beecham plc (GB) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001047874-A1 | (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-07-05 | — | — | WO | disclosed |