Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 4/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.50 |
| ▸ | ACACB | O00763 | 2/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | FPR2 | P25090 | 2/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 3/20 | 0.45 |
| ▸ | ACE | P12821 | 3/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2034306 | 0.88 | ACACB (0.50) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL31037192 | 0.88 | ACACB (0.50) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL13660693 | 0.88 | ACACB (0.50) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL27420078 | 0.87 | ACACB (0.49) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL21095472 | 0.86 | ABCB1 (0.46) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL8751953 | 0.85 | ACACB (0.48) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL29398348 | 0.85 | ACACB (0.61) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL8751950 | 0.85 | ACACB (0.48) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL29401256 | 0.85 | ACACB (0.61) | ITGB3ITGA2BACACBABCB1FPR2 | |
| SCHEMBL27569374 | 0.84 | ITGB3 (0.56) | ITGB3ITGA2BACACBABCB1FPR2 |
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-113292430-B | Alpha-carbonyl alkenyl ester compound and preparation method and application thereof | 江西师范大学 | 2022-11-29 | — | — | CN | disclosed |
| CN-113292430-A | Alpha-carbonyl alkenyl ester compound and preparation method and application thereof | 江西师范大学 | 2021-08-24 | — | — | CN | disclosed |