Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 4/20 | 0.47 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.47 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.46 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.42 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12507042 | 0.86 | MAPT (0.49) | EPHX2MAPT | |
| SCHEMBL18389995 | 0.85 | CXCR3 (0.43) | GNAI3GNAO1GNAI1CACNA2D1CACNA1B | |
| SCHEMBL22030503 | 0.84 | GNAI3 (0.43) | GNAI3GNAO1GNAI1CACNA2D1CACNA1B | |
| SCHEMBL25571574 | 0.84 | CACNA2D1 (0.42) | GNAI3GNAO1GNAI1CACNA2D1CACNA1B | |
| SCHEMBL29317068 | 0.83 | ACHE (0.53) | CACNA2D1CACNA1BCACNB1EPHX2EPHX1 | |
| SCHEMBL1738475 | 0.83 | CACNA2D1 (0.45) | GNAI3GNAO1GNAI1CACNA2D1CACNA1B | |
| SCHEMBL20471042 | 0.82 | HRH3 (0.48) | CACNA2D1CACNA1BCACNB1EPHX2CHRNB2 | |
| SCHEMBL18909449 | 0.82 | CACNA2D1 (0.45) | CACNA2D1CACNA1BCACNB1EPHX2EPHX1 | |
| SCHEMBL18909230 | 0.82 | THRB (0.53) | EPHX2EPHX1 | |
| SCHEMBL25133378 | 0.81 | CXCR3 (0.46) | GNAI3GNAO1GNAI1CACNA2D1CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023093845-A1 | CHIMERIC COMPOUND FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR PROTEIN, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-06-01 | — | — | WO | disclosed |
| EP-3596072-B1 | PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2022-06-22 | — | — | 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 |