Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1260232 | 0.86 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL6503240 | 0.86 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL1260230 | 0.86 | CYP2D6 (0.47) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL28836831 | 0.84 | CYP2D6 (0.42) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL31698005 | 0.84 | CYP2D6 (0.42) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL2690899 | 0.82 | CYP2D6 (0.55) | CYP2D6CYP2C19CA1CA2CA7 | |
| SCHEMBL2648388 | 0.82 | DGAT1 (0.42) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL27277877 | 0.82 | CYP2D6 (0.44) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL31466178 | 0.80 | CYP2D6 (0.39) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL24345707 | 0.80 | CYP2D6 (0.54) | CYP2D6CYP2C19CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106661395-B | Workpiece fixing sheet with resin layer | 琳得科株式会社 | 2021-05-28 | — | — | CN | disclosed |
| EP-3149001-B1 | NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS | NOVARTIS AG (CH) | 2019-04-24 | — | — | EP | disclosed |