Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.66 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.39 |
| ▸ | WNT3A | P56704 | 3/20 | 0.39 |
| ▸ | EPM2A | O95278 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.38 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15676441 | 0.84 | CYP2A6 (0.61) | CYP2A6DYRK1ACDK9HTR1BCA2 | |
| SCHEMBL8040622 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1AHTR1B | |
| SCHEMBL719619 | 0.79 | CYP2A6 (1.00) | CYP2A6DYRK1ACDK9HTR1BCA2 | |
| SCHEMBL6599379 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1ACDK9HTR1BCTNNB1 | |
| SCHEMBL5029999 | 0.79 | CYP2A6 (0.66) | CYP2A6DYRK1ACDK9HTR1BCA2 | |
| SCHEMBL7367499 | 0.77 | CYP2A6 (0.62) | CYP2A6DYRK1ACDK9HTR1BCA2 | |
| SCHEMBL17821819 | 0.76 | CYP2A6 (0.61) | CYP2A6DYRK1ACDK9HTR1BCTNNB1 | |
| SCHEMBL17821821 | 0.76 | CYP2A6 (0.61) | CYP2A6DYRK1ACDK9HTR1BCTNNB1 | |
| SCHEMBL4449899 | 0.75 | CYP2A6 (0.59) | CYP2A6CTNNB1WNT3A | |
| SCHEMBL16686779 | 0.75 | CYP2A6 (0.59) | CYP2A6DYRK1ACDK9HTR1BCTNNB1 |
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 3 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 |
| EP-0930298-A1 | FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-21 | — | — | EP | disclosed |