Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 10/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 10/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 10/20 | 0.35 |
| ▸ | CHRNB3 | Q05901 | 4/20 | 0.35 |
| ▸ | CHRNA6 | Q15825 | 4/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.33 |
| ▸ | TLR2 | O60603 | 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 | |
|---|---|---|---|---|
| SCHEMBL17632223 | 1.00 | CHRNB2 (0.35) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL4600592 | 0.83 | GABRR1 (0.39) | — | |
| SCHEMBL14780353 | 0.83 | CHRNB2 (0.37) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL28798049 | 0.81 | ALDH1A1 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21143453 | 0.81 | S1PR5 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL25277684 | 0.81 | ALDH1A1 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL21143480 | 0.81 | S1PR5 (0.36) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL25225141 | 0.81 | ALDH1A1 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2904019 | 0.79 | TLR2 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 | |
| SCHEMBL2904021 | 0.79 | TLR2 (0.33) | CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108884068-A | 1- cyano-pyrolidin derivative as DUB inhibitor | 特殊治疗有限公司 | 2018-11-23 | — | — | CN | disclosed |