Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16148375 | 0.85 | MEN1 (0.33) | ALDH1A1SMN1; SMN2HTTRAB9ALMNA | |
| SCHEMBL20825893 | 0.82 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2HDAC4HDAC8HTT | |
| SCHEMBL2936663 | 0.81 | MEN1 (0.33) | ALDH1A1SMN1; SMN2HTTRAB9ALMNA | |
| SCHEMBL15281737 | 0.79 | TSHR (0.48) | ALDH1A1SMN1; SMN2HDAC4HDAC8HTT | |
| SCHEMBL27260297 | 0.79 | USP19 (0.36) | ALDH1A1SMN1; SMN2HTTKDM4ECYP3A4 | |
| SCHEMBL13929158 | 0.78 | HDAC4 (0.38) | ALDH1A1SMN1; SMN2HDAC4HDAC8HTT | |
| SCHEMBL2930360 | 0.77 | HTT (0.33) | ALDH1A1SMN1; SMN2HTTLMNAMEN1 | |
| SCHEMBL2534136 | 0.77 | MEN1 (0.38) | ALDH1A1SMN1; SMN2HTTLMNAMEN1 | |
| SCHEMBL2535973 | 0.77 | EPHX1 (0.39) | SMN1; SMN2HTTMEN1KMT2AL3MBTL1 | |
| SCHEMBL14349226 | 0.76 | KIF11 (0.45) | ALDH1A1SMN1; SMN2HDAC4HDAC8HTT |
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-101668747-B | Tetrahydroisoquinolin-1-one derivatives or salts thereof | ASTELLAS PHARMA INC. (JP) | 2012-02-01 | — | — | CN | disclosed |
| CN-101668747-A | Tetrahydroisoquinolin-1-one derivatives or salts thereof | ASTELLAS PHARMA INC | 2010-03-10 | — | — | CN | disclosed |