Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | TOP2A | P11388 | 1/20 | 0.30 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2081948 | 1.00 | CYP3A4 (0.47) | CYP3A4KCNH2HRH3PIK3CDPIK3R1 | |
| SCHEMBL2081946 | 1.00 | CYP3A4 (0.47) | CYP3A4KCNH2HRH3PIK3CDPIK3R1 | |
| SCHEMBL2083026 | 0.83 | CYP3A4 (0.63) | CYP3A4KCNH2HRH3SCN5AALDH1A1 | |
| SCHEMBL2083029 | 0.83 | CYP3A4 (0.63) | CYP3A4KCNH2HRH3SCN5AALDH1A1 | |
| SCHEMBL2081994 | 0.82 | CYP3A4 (0.58) | CYP3A4KCNH2PIK3CGALDH1A1POLB | |
| SCHEMBL2081996 | 0.82 | CYP3A4 (0.58) | CYP3A4KCNH2PIK3CGALDH1A1POLB | |
| SCHEMBL482753 | 0.81 | CYP3A4 (0.72) | CYP3A4KCNH2ALDH1A1POLBOPRM1 | |
| SCHEMBL2080690 | 0.80 | CYP3A4 (0.51) | CYP3A4KCNH2HRH3SCN5AALDH1A1 | |
| SCHEMBL2080688 | 0.80 | CYP3A4 (0.51) | CYP3A4KCNH2HRH3SCN5AALDH1A1 | |
| SCHEMBL14014253 | 0.79 | CYP3A4 (0.45) | CYP3A4KCNH2ALDH1A1POLBCHRM2 |
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-1336611-B1 | DEHALOGENO COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2007-09-05 | — | — | EP | disclosed |