Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20753996 | 0.86 | CHRNB2 (0.46) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL20744361 | 0.85 | CHRNB2 (0.45) | CHRNB2CHRNA4 | |
| SCHEMBL21038264 | 0.83 | NOS3 (0.46) | — | |
| SCHEMBL20757469 | 0.81 | CHRNB2 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL6618885 | 0.79 | CHRNB4 (0.49) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL20753890 | 0.79 | HTR3A (0.56) | CHRNB2CHRNA4 | |
| SCHEMBL20753945 | 0.79 | CHRNB4 (0.38) | CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL18965250 | 0.79 | PARP1 (0.42) | CYP11B2 | |
| SCHEMBL10238092 | 0.78 | CHRNB4 (0.37) | CHRNB4CHRNA3CHRNB2CHRNA4HCAR2 | |
| Hydrochloric Acid SCHEMBL20744345 | 0.78 | HTR3A (0.54) | CHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117396469-A | Inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-103930401-B | Pesticidal compounds | 先正达参股股份有限公司 | 2017-01-11 | — | — | CN | disclosed |