Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.52 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.50 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.50 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16011311 | 0.85 | ABCB1 (0.66) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL20147031 | 0.82 | CALCRL (0.74) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL28409862 | 0.82 | PDE4A (0.54) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL11733704 | 0.82 | KCNA5 (0.62) | ABCG2MEN1KMT2ATP53CA1 | |
| SCHEMBL11672469 | 0.80 | ABCB1 (0.65) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL21860285 | 0.78 | ALOX5 (0.52) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL27908290 | 0.78 | CSNK2A2 (0.80) | ABCB1ABCG2MEN1KMT2ATP53 | |
| SCHEMBL28407601 | 0.75 | PDE4A (0.53) | PDE4AABCB1ABCG2MEN1KMT2A | |
| SCHEMBL25824711 | 0.75 | CYP2A6 (0.52) | CA1CA2SMN1; SMN2CYP1B1CYP1A1 | |
| SCHEMBL19887207 | 0.74 | GABRP (0.58) | CYP1B1CYP1A1CYP1A2 |
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-107325067-B | Mulberry octyl element M derivative of phosphodiesterase 4 inhibitor and application thereof | 广州中医药大学 | 2020-05-12 | — | — | CN | claimed |
| CN-107325067-B | Mulberry octyl element M derivative of phosphodiesterase 4 inhibitor and application thereof | 广州中医药大学 | 2020-05-12 | — | — | CN | disclosed |