Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.56 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.56 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.56 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.56 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.49 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.37 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.36 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.34 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18909242 | 0.90 | CHRNB2 (0.53) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL22030317 | 0.83 | LIPE (0.38) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL14224579 | 0.80 | CHRNB2 (0.52) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL16608525 | 0.80 | CHRNB2 (0.52) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL2409560 | 0.80 | CHRM1 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB4ALDH1A1 | |
| SCHEMBL22694004 | 0.80 | GNAI3 (0.39) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL15096692 | 0.79 | CHRNB2 (0.56) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL12066937 | 0.79 | CHRNB2 (0.56) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL3061000 | 0.78 | MBTD1 (0.39) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL653249 | 0.78 | MBTD1 (0.39) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 |
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 |