Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28149931 | 0.82 | PSD (0.39) | KMT2ANPC1RAB9ACNR2MEN1 | |
| SCHEMBL28030113 | 0.79 | CNR2 (0.45) | KMT2ANPC1RAB9ACNR2MEN1 | |
| SCHEMBL3116975 | 0.79 | NPC1 (0.55) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28771177 | 0.76 | PDE10A (0.55) | NPC1RAB9ALMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL14880488 | 0.75 | KCNJ1 (0.63) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL2954888 | 0.74 | SNCA (0.54) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL29164288 | 0.73 | SNCA (0.56) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL28158640 | 0.72 | MAPT (0.43) | KMT2ARAB9AMEN1MAPTLMNA | |
| SCHEMBL28131042 | 0.72 | NFE2L2 (0.58) | KMT2ANPC1RAB9AMEN1MAPT | |
| SCHEMBL6199119 | 0.70 | NPSR1 (0.55) | KMT2AMEN1MAPTCRHBPCRHR2 |
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-105017152-B | Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline | 北京六合宁远科技有限公司 | 2017-05-10 | — | — | CN | claimed |