Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 3/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27681245 | 0.94 | HTT (0.51) | HTTMAPTRXFP1ALDH1A1FOLH1 | |
| Palmitic Acid SCHEMBL6545984 | 0.90 | SIRT2 (0.50) | HTTMAPTRXFP1ALDH1A1SIRT2 | |
| SCHEMBL12799925 | 0.90 | ALDH1A1 (0.50) | HTTALDH1A1SIRT2SIRT1SIRT3 | |
| SCHEMBL27729776 | 0.89 | CETP (0.51) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL27851258 | 0.89 | CETP (0.51) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL29650273 | 0.89 | CETP (0.51) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL29650322 | 0.89 | CETP (0.51) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL28547677 | 0.89 | CETP (0.51) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL27806155 | 0.88 | ALOX5 (0.46) | ALDH1A1SIRT2SIRT1SIRT3MAPK1 | |
| SCHEMBL1906938 | 0.88 | CYSLTR2 (0.49) | HTTALDH1A1SIRT2SIRT1SIRT3 |
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-117916245-A | Pyrimidine ring compound and preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-101754963-A | spirocyclopropyl piperidine derivatives | ASTRAZENECA AB | 2010-06-23 | — | — | CN | disclosed |