Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL27893992 | 0.83 | GABBR2 (0.47) | GABBR2GABBR1GSK3BF2DAO | |
| SCHEMBL27708205 | 0.79 | GSK3B (0.48) | GSK3BDAOHPGDALDH1A1KMT2A | |
| SCHEMBL27708353 | 0.78 | WRN (0.34) | GSK3BDAOWRN | |
| SCHEMBL27586772 | 0.78 | ALOX5 (0.44) | DAOHPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL27804135 | 0.76 | HPGD (0.41) | HPGDALDH1A1KMT2AMEN1NPC1 | |
| SCHEMBL909126 | 0.76 | GABBR2 (0.49) | GABBR2GABBR1GSK3BF2DAO | |
| SCHEMBL27894256 | 0.74 | CYP3A4 (0.42) | GABBR2GABBR1GSK3BF2DAO | |
| SCHEMBL27593352 | 0.73 | NPSR1 (0.49) | DAOHPGDALDH1A1KMT2ANPC1 | |
| SCHEMBL27616107 | 0.71 | GSK3B (0.36) | GSK3BDAO | |
| SCHEMBL4706414 | 0.71 | GABBR2 (0.39) | GABBR2GABBR1GSK3BMAPTWRN |
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 |
|---|---|---|---|---|---|---|---|
| CN-102791714-A | N-(imidazopyrimidin-7-yl)-heteroarylamide derivatives and their use as PDE10A inhibitors | HOFFMANN LA ROCHE | 2012-11-21 | — | — | CN | disclosed |
| CN-102112474-A | Quinuclidine carbonate derivatives and medicinal composition thereof | CHIESI FARMA SPA | 2011-06-29 | — | — | CN | disclosed |
| CN-102056907-A | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL | 2011-05-11 | — | — | CN | disclosed |
| CN-101511429-A | Indulines derivatives and gpr119 agonists | SMITHKLINE BEECHAM CORP (US) | 2009-08-19 | — | — | CN | disclosed |
| CN-101048158-A | Thiazole based inhibitors of ATP-utilizing enyzmes | GENENTECH INC (US) | 2007-10-03 | — | — | CN | disclosed |