Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL29718799 | 0.78 | GAA (0.40) | POLBGAAALDH1A1LMNAHTT | |
| SCHEMBL26357447 | 0.74 | — | — | |
| SCHEMBL31016940 | 0.72 | LMNA (0.34) | KDM4CCOMTPOLBGAAALDH1A1 | |
| SCHEMBL2901127 | 0.71 | RAB9A (0.40) | KDM4CPOLBGAAALDH1A1NPC1 | |
| SCHEMBL27789299 | 0.71 | RAB9A (0.39) | KDM4CPOLBGAAALDH1A1NPC1 | |
| SCHEMBL953920 | 0.70 | COMT (0.36) | COMTGAAALDH1A1NPC1RAB9A | |
| SCHEMBL6587153 | 0.69 | POLB (0.39) | KDM4CPOLBGAAALDH1A1NPC1 | |
| SCHEMBL28685045 | 0.69 | ROCK2 (0.32) | HTT | |
| SCHEMBL23723702 | 0.68 | ALDH1A1 (0.37) | KDM4CCOMTPOLBGAAALDH1A1 | |
| SCHEMBL28889804 | 0.66 | PTPN11 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024217500-A1 | ISOQUINOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2024-10-24 | — | — | WO | disclosed |