Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14833592 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL15902257 | 1.00 | CYP1A2 (0.54) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833683 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833682 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833737 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL15901041 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833679 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL15902151 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833678 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 | |
| SCHEMBL14833738 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP3A4RECQLTDP1HDAC6 |
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-2760831-A1 | VIRAL REPLICATION INHIBITORS | Katholieke Universiteit Leuven (BE) | 2014-08-06 | — | — | EP | disclosed |
| WO-2013045516-A1 | VIRAL REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2013-04-04 | — | — | WO | disclosed |