Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.68 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.68 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6227025 | 0.88 | CHRNB2 (0.64) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL12853934 | 0.81 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL6674571 | 0.81 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL31044635 | 0.81 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL12197592 | 0.81 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL10509238 | 0.81 | CHRNB2 (0.72) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL27771997 | 0.76 | CHRNB2 (0.59) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL10028665 | 0.76 | CHRNB2 (0.85) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL30632262 | 0.76 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 | |
| SCHEMBL3460939 | 0.76 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNA7TDP1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021017068-A1 | PYRROLO-PYRAZOL DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 上海美迪西生物医药股份有限公司 | 2021-02-04 | — | — | WO | disclosed |