Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5958188 | 0.81 | GRIA1 (0.49) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL3706669 | 0.77 | KCNH2 (0.46) | CYP2A6ALDH1A1KCNH2HRH3MAOA | |
| SCHEMBL250894 | 0.77 | MAOA (0.50) | KCNH2HRH3MAOAMAOBGRIA1 | |
| SCHEMBL13621591 | 0.76 | GRIA1 (0.46) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL250728 | 0.76 | MAOA (0.53) | KCNH2HRH3MAOAMAOBGRIA1 | |
| SCHEMBL22680616 | 0.76 | MAOA (0.53) | KCNH2HRH3MAOAMAOBGRIA1 | |
| SCHEMBL19741202 | 0.76 | KCNH2 (0.41) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL2300047 | 0.76 | CHRNA1 (0.55) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL28111674 | 0.74 | CYP2A6 (0.42) | CA2CYP2A6ALDH1A1CA12CA3 | |
| SCHEMBL21574447 | 0.74 | GRIA1 (0.44) | CA2CYP2A6ALDH1A1CA12CA3 |
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-0655057-B1 | CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS | UPJOHN CO (US) | 1997-09-17 | — | — | EP | disclosed |