Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | TOP1 | P11387 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7468912 | 1.00 | KCNH2 (0.48) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL7467420 | 0.90 | KCNH2 (0.46) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL7461997 | 0.90 | KCNH2 (0.40) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| Hydrochloric Acid SCHEMBL7468673 | 0.89 | KCNH2 (0.45) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL500423 | 0.89 | KCNH2 (0.46) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL500422 | 0.89 | KCNH2 (0.46) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL6163513 | 0.86 | CYP3A4 (0.50) | KCNH2CYP3A4GSK3BPOLBCACNA1F | |
| SCHEMBL9688856 | 0.83 | KCNH2 (0.59) | KCNH2GSK3BPOLBCACNA1FMAPK1 | |
| SCHEMBL9688237 | 0.83 | KCNH2 (0.59) | KCNH2GSK3BPOLBCACNA1FMAPK1 | |
| SCHEMBL8619916 | 0.82 | KCNH2 (0.50) | KCNH2CYP3A4GSK3BPOLBCACNA1F |
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 |
|---|---|---|---|---|---|---|---|
| EP-0900793-B1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2002-07-24 | — | — | EP | claimed |
| EP-0900793-B1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2002-07-24 | — | — | EP | disclosed |
| US-6194434-B1 | MICROBIOCIDES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-02-27 | — | — | US | disclosed |
| EP-0900793-A1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |