Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28437100 | 1.00 | HPGD (0.39) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28431797 | 0.92 | CA12 (0.45) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28434416 | 0.92 | CA12 (0.45) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28443111 | 0.92 | CA12 (0.45) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28442068 | 0.92 | CA12 (0.45) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28434606 | 0.88 | FDFT1 (0.37) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28431814 | 0.87 | ALDH1A1 (0.37) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28431815 | 0.87 | ALDH1A1 (0.37) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28436362 | 0.87 | ALDH1A1 (0.37) | HPGDHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL28436360 | 0.87 | ALDH1A1 (0.37) | HPGDHTTKMT2AKDM4EALDH1A1 |
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-111386261-A | Coumarin derivatives, preparation method thereof and application thereof in cancer treatment | 利德发现中心有限责任公司 | 2020-07-07 | — | — | CN | claimed |
| CN-111386261-A | Coumarin derivatives, preparation method thereof and application thereof in cancer treatment | 利德发现中心有限责任公司 | 2020-07-07 | — | — | CN | disclosed |