Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL105976 | 0.87 | TRPV1 (0.51) | TRPV1SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL9763000 | 0.82 | LSS (0.44) | SIGMAR1SMN1; SMN2ALDH1A1HDAC3MAPK1 | |
| SCHEMBL9763004 | 0.82 | LSS (0.44) | SIGMAR1SMN1; SMN2ALDH1A1HDAC3MAPK1 | |
| SCHEMBL28075184 | 0.82 | ESR1 (0.52) | SIGMAR1ALDH1A1SLC6A3L3MBTL1KMT2A | |
| SCHEMBL443151 | 0.81 | HDAC3 (0.48) | SMN1; SMN2ALDH1A1HDAC3MAPK1ADRA1A | |
| SCHEMBL4667862 | 0.81 | HDAC3 (0.48) | SMN1; SMN2ALDH1A1HDAC3MAPK1ADRA1A | |
| SCHEMBL17732044 | 0.81 | HDAC1 (0.44) | SIGMAR1SMN1; SMN2ALDH1A1HDAC3MAPK1 | |
| SCHEMBL1574137 | 0.81 | HDAC3 (0.48) | SMN1; SMN2ALDH1A1HDAC3MAPK1ADRA1A | |
| SCHEMBL28223954 | 0.80 | TRPV1 (0.34) | TRPV1SIGMAR1SLC6A3KMT2A | |
| SCHEMBL28174141 | 0.79 | HTR3A (0.52) | SIGMAR1SMN1; SMN2HDAC3MAPK1ADRA1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112920123-B | 3-aryl-6-aralkyl-1, 4,5, 6-tetrahydropyrazines compound and preparation method and application thereof | 江苏冠瑜生物科技有限公司 | 2022-09-16 | — | — | CN | disclosed |
| EP-1575689-A2 | TYPING NATURAL PRODUCTS | Marcucci Ribeiro, Maria Cristina (BR) | 2005-09-21 | — | — | EP | disclosed |
| WO-2002051516-A2 | TYPING NATURAL PRODUCTS | MARCUCCI RIBEIRO MARIA CRISTIN (BR) | 2002-07-04 | — | — | WO | disclosed |