Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | TSPO | P30536 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348068 | 0.85 | GRM5 (0.50) | GRM5TSPOCYP1A2CYP2C19OPRM1 | |
| SCHEMBL21894334 | 0.84 | CYP1A2 (0.47) | GRM5TSPOCYP1A2CYP2C19OPRM1 | |
| SCHEMBL17364403 | 0.82 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL11185939 | 0.81 | CYP2C19 (0.53) | GRM5TSPOCYP1A2CYP2C19OPRM1 | |
| SCHEMBL12933379 | 0.79 | NUDT1 (0.47) | GRM5TSPOCYP1A2CYP2C19OPRM1 | |
| SCHEMBL17364384 | 0.79 | CHRNB2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4CYP1A2 | |
| SCHEMBL12893079 | 0.78 | CHRNB2 (0.43) | GRM5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL15353282 | 0.77 | TSPO (0.49) | GRM5TSPOCYP1A2CYP2C19OPRM1 | |
| SCHEMBL18809821 | 0.76 | HDAC1 (0.57) | CYP1A2CYP2C19HDAC1ALDH1A1KDR | |
| SCHEMBL6642582 | 0.76 | HDAC1 (0.43) | GRM5TSPOCYP1A2CYP2C19OPRM1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4560762-A | HERBICIDE INTERMEDIATES | TOYO SODA MANUFACTURING CO. LTD. (JP) | 1985-12-24 | — | — | US | claimed |
| US-7868204-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2011-01-11 | — | — | US | disclosed |
| US-7838520-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2010-11-23 | — | — | US | disclosed |
| US-7595343-B2 | Inhibitors of histone deacetylase | METHYLGENE, INC. (CA) | 2009-09-29 | — | — | US | disclosed |
| CN-85108132-A | Compounds process for production thereof | — | 1986-07-16 | — | — | CN | disclosed |