Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | PER2 | O15055 | 1/20 | 0.33 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.33 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6605234 | 1.00 | CYP2A6 (0.46) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6403235 | 0.84 | CTNNB1 (0.37) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6401305 | 0.82 | PTPRB (0.40) | MEN1KMT2A | |
| SCHEMBL6406503 | 0.82 | CYP2A6 (0.50) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6406508 | 0.82 | CYP2A6 (0.50) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6400319 | 0.78 | MMP2 (0.39) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL6399715 | 0.78 | MMP2 (0.39) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Hydrochloric Acid SCHEMBL6404633 | 0.78 | CYP2A6 (0.39) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| Hydrochloric Acid SCHEMBL6404626 | 0.78 | CYP2A6 (0.39) | CYP2A6CTNNB1WNT3ACA12CA2 | |
| SCHEMBL27413722 | 0.76 | CA1 (0.48) | CA12CA2KMT2AGBA1 |
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-1289980-B1 | BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES | SMITHKLINE BEECHAM PLC (GB) | 2004-11-17 | — | — | EP | disclosed |