Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.31 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28898140 | 0.87 | — | — | |
| SCHEMBL25645243 | 0.85 | ESR1 (0.39) | ESR1SMAD3KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL28987381 | 0.82 | ESR1 (0.36) | ESR1SMAD3KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21428059 | 0.82 | ESR1 (0.36) | ESR1SMAD3KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL21408306 | 0.77 | KDM4E (0.43) | ESR1SMAD3KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL25645241 | 0.70 | MAPT (0.37) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL28898157 | 0.70 | CYP1A2 (0.36) | KDM4ESMN1; SMN2MAPT | |
| SCHEMBL28898144 | 0.69 | KMT2A (0.41) | KDM4EALDH1A1HPGDGAASMN1; SMN2 | |
| SCHEMBL22906212 | 0.68 | PHGDH (0.30) | — | |
| SCHEMBL28486708 | 0.68 | PHGDH (0.30) | — |
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-111868026-B | Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof | 正大天晴药业集团股份有限公司 | 2022-11-25 | — | — | CN | disclosed |