Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 2/20 | 0.32 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.31 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL27851462 | 0.99 | NCOA3 (0.35) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL28811976 | 0.95 | NCOA3 (0.35) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Isoquinoline SCHEMBL27611681 | 0.90 | ACHE (0.36) | NCOA3KIF11KDM4EHTTPOLB | |
| Isoquinoline SCHEMBL27851408 | 0.89 | ACHE (0.36) | NCOA3KIF11HTTALDH1A1SIGMAR1 | |
| Isoquinoline SCHEMBL27770787 | 0.85 | NCOA3 (0.35) | NCOA3KIF11KDM4EHTTPOLB | |
| Isoquinoline SCHEMBL27659509 | 0.85 | HPRT1 (0.41) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Hydrochloric Acid SCHEMBL27963654 | 0.85 | ACHE (0.38) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Isoquinoline SCHEMBL27338940 | 0.84 | HPRT1 (0.39) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Isoquinoline SCHEMBL27611513 | 0.84 | NCOA3 (0.35) | NCOA3KIF11KDM4EHTTALDH1A1 | |
| Isoquinoline SCHEMBL27760368 | 0.84 | HPRT1 (0.40) | NCOA3KIF11KDM4EHTTPOLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101146808-B | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | disclosed |
| CN-100516061-C | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-101146808-A | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | CN | disclosed |
| CN-1585762-A | Pyridine derivatives as NMDA receptor ligands | HOFFMANN LA ROCHE (CH) | 2005-02-23 | — | — | CN | disclosed |