Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.42 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL17572858 | 0.85 | CHRNB2 (0.44) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL24802124 | 0.84 | CHRNB2 (0.40) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL20030841 | 0.82 | GAA (0.40) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL24481225 | 0.82 | EPHX2 (0.50) | EPHX1KDM4EALDH1A1DRD3DRD4 | |
| SCHEMBL2102558 | 0.79 | CHRNB2 (0.42) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL24654594 | 0.74 | NR1H2 (0.50) | EPHX1ALDH1A1EPHX2KMT2A | |
| SCHEMBL16254585 | 0.73 | EPHX1 (0.43) | CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7 | |
| SCHEMBL23152417 | 0.73 | PARP1 (0.43) | KDM4EALDH1A1LMNADRD3DRD4 | |
| SCHEMBL4117382 | 0.73 | PARP1 (0.43) | KDM4EALDH1A1LMNADRD3DRD4 | |
| SCHEMBL25208208 | 0.73 | PARP1 (0.43) | KDM4EALDH1A1LMNADRD3DRD4 |
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-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |