Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.48 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.48 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.48 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480265 | 0.87 | GSK3B (0.80) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL5317014 | 0.81 | GSK3B (0.64) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL10886301 | 0.80 | GSK3B (0.70) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| Terephthalamide SCHEMBL23774 | 0.79 | PARP1 (0.71) | ALDH1A1MAPTPOLBPARP10PARP4 | |
| SCHEMBL953871 | 0.78 | GSK3B (1.00) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL2968369 | 0.78 | GSK3B (0.67) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL5787064 | 0.78 | GSK3B (0.67) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL22919688 | 0.78 | PARP10 (0.50) | ALDH1A1MAPTPOLBPARP10PARP4 | |
| SCHEMBL6266724 | 0.78 | ALDH1A1 (0.70) | GSK3BALDH1A1HIF1ATRPA1MAPK1 | |
| SCHEMBL3376212 | 0.78 | PARP10 (0.50) | ALDH1A1MAPTPOLBPARP10PARP4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103957711-A | use of substituted isoquinolinones, isoquinolinediones, isoquinolinetriones and dihydroisoquinolinones or their respective salts as active agents against abiotic stress in plants | BAYER IP GMBH | 2014-07-30 | — | — | CN | disclosed |
| WO-2007067993-A1 | INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2007-06-14 | — | — | WO | disclosed |