Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 2/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.32 |
| ▸ | PNMT | P11086 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.30 |
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 SCHEMBL27641954 | 0.90 | PNMT (0.43) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL27659509 | 0.85 | HPRT1 (0.41) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL28753569 | 0.85 | NCOA3 (0.35) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL27338940 | 0.84 | HPRT1 (0.39) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL27851462 | 0.84 | NCOA3 (0.35) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL27760368 | 0.84 | HPRT1 (0.40) | NCOA3KIF11HTTKDM4EPOLB | |
| Isoquinoline SCHEMBL27749876 | 0.84 | CYP11B1 (0.39) | NCOA3KIF11HTTKDM4EPOLB | |
| SCHEMBL27430162 | 0.84 | KIF11 (0.46) | KIF11NQO1PNMTSTAT3 | |
| Isoquinoline SCHEMBL27510953 | 0.83 | NCOA3 (0.34) | NCOA3KIF11HTTKDM4EPOLB | |
| SCHEMBL28192423 | 0.83 | HPRT1 (0.40) | NCOA3KIF11HTTKDM4EPOLB |
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-101501036-A | Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine | MERZ PHARMA GMBH & CO KGAA (DE) | 2009-08-05 | — | — | CN | disclosed |