Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | FASN | P49327 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27480443 | 0.85 | AKR1C3 (0.47) | CA12CA1CA2CA6CA9 | |
| SCHEMBL3396959 | 0.84 | LMNA (0.54) | ALDH1A1LMNAPOLBMAPTMAPK1 | |
| SCHEMBL27653343 | 0.78 | GSK3B (0.48) | — | |
| SCHEMBL68806 | 0.77 | ESR1 (0.53) | CA12CA1CA2CA6CA9 | |
| SCHEMBL27925309 | 0.75 | CDC25B (0.53) | RAB9AKDM4EESR1ESR2ALDH1A1 | |
| SCHEMBL28440522 | 0.74 | CA12 (0.61) | CA12CA1CA2CA6CA9 | |
| SCHEMBL1877874 | 0.74 | ESR1 (0.66) | CA12CA1CA2CA6CA9 | |
| SCHEMBL6661362 | 0.72 | PARP1 (0.63) | CA12CA1CA2CA6CA9 | |
| SCHEMBL29905085 | 0.72 | SLC2A1 (0.69) | CA12CA1CA2CA6CA9 | |
| SCHEMBL56565 | 0.71 | RAB9A (0.82) | CA12CA1CA2CA6CA9 |
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-108635361-A | A kind of rare flower extract and its active constituent and separation method with anti-inflammatory activity | 扬州大学 | 2018-10-12 | — | — | CN | claimed |
| CN-108635361-A | A kind of rare flower extract and its active constituent and separation method with anti-inflammatory activity | 扬州大学 | 2018-10-12 | — | — | CN | disclosed |