Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.32 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
| ▸ | DPP4 | P27487 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7618939 | 0.76 | LMNA (0.42) | CYP2A6SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28292343 | 0.71 | CYP2A6 (0.46) | CYP2A6CA1CA2SLC6A4IMPDH2 | |
| SCHEMBL2096626 | 0.71 | CYP2A6 (0.39) | CYP2A6CA1CA2SLC6A4IMPDH2 | |
| SCHEMBL3983731 | 0.71 | SLC6A2 (0.37) | CYP2A6SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL28741075 | 0.68 | CA1 (0.44) | CYP2A6CA1CA2SLC6A4IMPDH2 | |
| SCHEMBL8895911 | 0.68 | CYP2A6 (0.46) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL2093471 | 0.68 | CYP2A6 (0.42) | CYP2A6CA1CA2SLC6A4IMPDH2 | |
| SCHEMBL20559738 | 0.68 | CYP2A6 (0.46) | CYP2A6CA1CA2IMPDH2IMPDH1 | |
| SCHEMBL9674165 | 0.68 | CYP2A6 (0.39) | CYP2A6CA1CA2SLC6A4IMPDH2 | |
| SCHEMBL8712457 | 0.67 | CYP2A6 (0.41) | CYP2A6CA1CA2IMPDH2IMPDH1 |
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-0587110-B1 | Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1997-12-17 | — | — | EP | disclosed |
| EP-0587110-A2 | Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-03-16 | — | — | EP | disclosed |