Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| SCHEMBL15225780 | 0.87 | STS (0.43) | CYP2D6CYP2C19PTGS2PTGS1HTT | |
| SCHEMBL15225813 | 0.86 | PTGS2 (0.49) | CYP2D6CYP2C19CYP3A4PTGS2PTGS1 | |
| SCHEMBL2861272 | 0.79 | MAPT (0.47) | CYP2D6CYP2C19CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL2865471 | 0.75 | CYP3A4 (0.45) | CYP2D6CYP2C19CYP3A4AKR1C3AKR1C2 | |
| SCHEMBL2858867 | 0.75 | NFKB1 (0.43) | CYP2D6CYP2C19CYP3A4HTTGAA | |
| SCHEMBL15225837 | 0.74 | PTGS2 (0.51) | CYP2D6CYP2C19CYP3A4PTGS2PTGS1 | |
| SCHEMBL2862959 | 0.73 | PTGS2 (0.42) | CYP2D6CYP2C19CYP3A4PTGS2HTT | |
| SCHEMBL2858510 | 0.72 | PTGS2 (0.43) | CYP2D6CYP2C19CYP3A4PTGS2HTT | |
| SCHEMBL2864661 | 0.71 | LMNA (0.40) | CYP2D6CYP2C19CYP3A4HTTGAA | |
| SCHEMBL2868754 | 0.71 | NFKB1 (0.40) | CYP2D6CYP2C19CYP3A4HTTGAA |
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-1642880-B1 | HSP90 FAMILY PROTEIN INHIBITORS | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-09-04 | — | — | EP | claimed |