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 |
| ▸ | 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 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 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 | |
|---|---|---|---|---|
| SCHEMBL8051994 | 0.83 | CYP2A6 (0.66) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL2092291 | 0.81 | CYP2A6 (0.41) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL154793 | 0.79 | CYP2A6 (0.47) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL7465357 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL3150204 | 0.79 | CYP2A6 (0.46) | CYP2A6MRGPRX4OPRM1OPRK1PTPRC | |
| SCHEMBL507426 | 0.79 | CYP2A6 (0.71) | CYP2A6MRGPRX4OPRM1OPRK1DYRK1A | |
| SCHEMBL3810731 | 0.76 | KDM4E (0.44) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL29833385 | 0.76 | CYP2A6 (0.43) | CYP2A6MRGPRX4OPRM1OPRK1SIGMAR1 | |
| SCHEMBL12569411 | 0.76 | CYP2A6 (0.52) | CYP2A6SLC6A2SLC6A3 | |
| 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6040449-A | USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT | BANYU PHARMACEUTICAL CO LTD (JP) | 2000-03-21 | — | — | US | disclosed |
| US-5948792-A | POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |
| CN-1226888-A | Fluorinated 1,4-disubstituted piperidine derivatives | BANYU PHARMA CO LTD (JP) | 1999-08-25 | — | — | CN | disclosed |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |