Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487898 | 0.88 | L3MBTL1 (0.46) | L3MBTL1ESR1ESR2ALDH1A1KMT2A | |
| SCHEMBL6681008 | 0.82 | KMT2A (0.58) | L3MBTL1ESR1ESR2ALDH1A1GAA | |
| SCHEMBL8585874 | 0.81 | FFAR1 (0.52) | L3MBTL1ESR1ESR2GAAKMT2A | |
| SCHEMBL30410294 | 0.77 | LDHB (0.61) | L3MBTL1LDHALDHB | |
| SCHEMBL6515606 | 0.75 | FFAR1 (0.56) | ALDH1A1POLBTYRMMP9MMP13 | |
| SCHEMBL1125147 | 0.75 | TYR (0.53) | ALDH1A1KMT2ATYRADRB2ADRB1 | |
| SCHEMBL28437317 | 0.75 | ALDH1A1 (0.52) | ALDH1A1KMT2ATDP1TYRADRB2 | |
| SCHEMBL1456465 | 0.74 | SLC6A3 (0.51) | L3MBTL1ALDH1A1 | |
| SCHEMBL22076567 | 0.71 | ALDH1A1 (0.47) | ALDH1A1KMT2ATYRADRB2ADRB1 | |
| SCHEMBL1545921 | 0.70 | KMT2A (0.56) | L3MBTL1ESR1ESR2ALDH1A1KMT2A |
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-111925377-B | Para-substituted dihydrofurocoumarin neuraminidase inhibitor and preparation method and application thereof | 上海应用技术大学 | 2022-05-31 | — | — | CN | disclosed |
| CN-111925377-A | Para-substituted dihydrofurocoumarin neuraminidase inhibitor and preparation method and application thereof | 上海应用技术大学 | 2020-11-13 | — | — | CN | disclosed |