Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.45 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20471042 | 0.88 | HRH3 (0.48) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 | |
| SCHEMBL24521471 | 0.86 | HSD11B1 (0.47) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 | |
| SCHEMBL25701777 | 0.85 | HSD11B1 (0.53) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 | |
| SCHEMBL18389996 | 0.85 | HSD11B1 (0.45) | CACNA2D1CACNA1BCACNB1CACNA1CPIK3CD | |
| SCHEMBL12507042 | 0.85 | MAPT (0.49) | EPHX2MAPT | |
| SCHEMBL18909448 | 0.84 | CACNA2D1 (0.43) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 | |
| SCHEMBL4550243 | 0.84 | PIK3CD (0.52) | CACNA2D1CACNA1BCACNB1CACNA1CPIK3CD | |
| SCHEMBL18909455 | 0.83 | PKM (0.43) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 | |
| SCHEMBL22030478 | 0.83 | CNR1 (0.43) | CACNA2D1CACNA1BCACNB1CACNA1CPIK3CD | |
| SCHEMBL18909445 | 0.83 | CACNA2D1 (0.42) | CACNA2D1CACNA1BCACNB1CACNA1CEPHX2 |
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 |