Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18909219 | 0.96 | ALDH1A1 (0.52) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL24521453 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL12847187 | 0.87 | ALDH1A1 (0.70) | ALDH1A1PKMSMN1; SMN2 | |
| SCHEMBL18023792 | 0.85 | ALDH1A1 (0.45) | ALDH1A1PKMHSD11B1KDM4ESMN1; SMN2 | |
| SCHEMBL22030928 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL19259563 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL17286057 | 0.82 | ALDH1A1 (0.45) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL18909223 | 0.82 | SIGMAR1 (0.44) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL25701777 | 0.82 | HSD11B1 (0.53) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL20471042 | 0.82 | HRH3 (0.48) | ALDH1A1CACNA2D1CACNA1BCACNB1CACNA1C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3596072-B1 | PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-06-22 | — | — | EP | disclosed |
| EP-3416967-B1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-02-09 | — | — | EP | disclosed |
| EP-3380474-B1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-08-21 | — | — | EP | disclosed |
| WO-2017140825-A1 | THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-08-24 | — | — | WO | disclosed |
| WO-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |