Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14747796 | 0.78 | PTGS2 (0.68) | PTGS1PTGS2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9026151 | 0.70 | GRM1 (0.46) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| Sulfamide SCHEMBL7137771 | 0.70 | PTGS2 (0.79) | PTGS1PTGS2ALDH1A1MAPTHTT | |
| SCHEMBL6237143 | 0.70 | CYP11B2 (0.48) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL15839004 | 0.70 | CYP11B2 (0.48) | CYP2A6ALDH1A1CYP3A4CYP11B2L3MBTL1 | |
| SCHEMBL15839181 | 0.70 | CYP11B2 (0.48) | CYP2A6CYP1A2CYP3A4CYP11B2GRM1 | |
| SCHEMBL6845949 | 0.68 | CYP11B2 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B2 | |
| SCHEMBL5731172 | 0.68 | ALDH1A1 (0.46) | PTGS1PTGS2CYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL6157378 | 0.68 | PTGS2 (0.63) | PTGS1PTGS2ALDH1A1MAPTKDM4E | |
| SCHEMBL6086847 | 0.66 | CYP11B2 (0.46) | CYP2A6CYP3A4CYP11B2L3MBTL1HTT |
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-104860927-A | 1H-3,5-bis(3-pyridinyl)-4-chloropyrazole compound, and preparation method and application thereof | UNIV NINGBO | 2015-08-26 | — | — | CN | claimed |