Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | LCK | P06239 | 3/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.49 |
| ▸ | ABL1 | P00519 | 2/20 | 0.49 |
| ▸ | SRC | P12931 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | PLK1 | P53350 | 2/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.49 |
| ▸ | PRKCG | P05129 | 2/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.49 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | CDC7 | O00311 | 1/20 | 0.49 |
| ▸ | PLK4 | O00444 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.49 |
| ▸ | CHUK | O15111 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29176301 | 1.00 | HTT (0.67) | HTTGAAALDH1A1RAB9ALCK | |
| SCHEMBL16657367 | 0.87 | HTT (0.70) | HTTGAAALDH1A1RAB9AMAPK1 | |
| SCHEMBL16657397 | 0.81 | HTT (0.66) | HTTGAAALDH1A1RAB9AMAPK1 | |
| SCHEMBL4718392 | 0.80 | HTT (1.00) | HTTGAAALDH1A1RAB9AMAPK1 | |
| SCHEMBL28476368 | 0.79 | PTK2 (0.48) | HTTGAALCKPTK2ABL1 | |
| SCHEMBL16657412 | 0.79 | HTT (0.69) | HTTGAAALDH1A1RAB9AMAPK1 | |
| SCHEMBL16657372 | 0.77 | ALDH1A1 (0.82) | HTTGAAALDH1A1RAB9AMAPK1 | |
| SCHEMBL30800002 | 0.76 | MAPK1 (0.50) | ALDH1A1LCKPTK2ABL1SRC | |
| SCHEMBL29176269 | 0.76 | MAPK1 (0.50) | ALDH1A1LCKPTK2ABL1SRC | |
| SCHEMBL30543467 | 0.75 | GAK (0.51) | ALDH1A1LCKPTK2ABL1SRC |
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-111732584-B | Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy | 复旦大学 | 2024-02-27 | — | — | CN | disclosed |