Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11207630 | 0.86 | ESR1 (0.53) | HTTESR1ESR2MAPK1KMT2A | |
| SCHEMBL9195639 | 0.83 | HTT (0.54) | HTTESR1ESR2KMT2ATSHR | |
| SCHEMBL3327023 | 0.83 | MAPK1 (0.58) | HTTESR1MAPK1MEN1KMT2A | |
| SCHEMBL17912823 | 0.82 | ALDH1A1 (0.52) | HTTMAPK1MEN1KMT2AATM | |
| SCHEMBL6688920 | 0.82 | HTT (0.56) | HTTESR1ESR2MAPK1MEN1 | |
| SCHEMBL10698804 | 0.82 | HTT (0.64) | HTTESR1ABCB11MAPK1TSHR | |
| SCHEMBL4185213 | 0.80 | ACHE (0.57) | HTTESR1ESR2MAPK1MEN1 | |
| SCHEMBL2875254 | 0.79 | MAPK1 (0.62) | HTTESR1MAPK1MEN1KMT2A | |
| SCHEMBL9685110 | 0.79 | HTT (0.69) | HTTESR1ESR2ABCB11MAPK1 | |
| SCHEMBL3755885 | 0.79 | MAPK1 (0.56) | HTTESR1MAPK1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102993157-B | Alpha-naphthoflavone derivative, preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2015-04-01 | — | — | CN | claimed |
| CN-102993157-A | Alpha-naphthoflavone derivative, preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2013-03-27 | — | — | CN | claimed |
| CN-102993157-B | Alpha-naphthoflavone derivative, preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2015-04-01 | — | — | CN | disclosed |
| CN-102993157-A | Alpha-naphthoflavone derivative, preparation method and application thereof | UNIV SHANGHAI JIAOTONG | 2013-03-27 | — | — | CN | disclosed |