Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL304994 | 0.89 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| SCHEMBL29950507 | 0.89 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL7007436 | 0.88 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| SCHEMBL15323808 | 0.78 | HSD17B3 (0.40) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| SCHEMBL27872842 | 0.76 | HDAC3 (0.43) | HDAC3HSD17B3MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL4552418 | 0.75 | P2RX4 (0.45) | HDAC3HSD17B3ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL29493257 | 0.74 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| SCHEMBL30014867 | 0.74 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A | |
| SCHEMBL6168375 | 0.74 | HSD17B3 (0.49) | HDAC3HSD17B3MAPTKMT2A | |
| SCHEMBL305168 | 0.74 | HDAC3 (0.43) | HDAC3HSD17B3ALDH1A1MAPTKMT2A |
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-106470994-B | For treating the substituted pyrazine of CNS disease simultaneously [2,1-A] isoquinilone derivatives | 豪夫迈·罗氏有限公司 | 2019-09-24 | — | — | CN | disclosed |