Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | FADS1 | O60427 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | PAK4 | O96013 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | GLP1R | P43220 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19010748 | 0.82 | FADS1 (0.45) | GBA1FADS1PAK4CDK1EGFR | |
| SCHEMBL1798451 | 0.77 | FADS1 (0.45) | GBA1FADS1IGF1RCDK1EGFR | |
| SCHEMBL3754341 | 0.75 | HPGDS (0.53) | PLK4PAK4PDE2AKMT2A | |
| SCHEMBL20511289 | 0.74 | FADS1 (0.55) | FADS1IGF1RPDPK1P2RX7NSD2 | |
| SCHEMBL782435 | 0.74 | FADS1 (0.55) | FADS1IGF1RPDPK1P2RX7NSD2 | |
| SCHEMBL22282069 | 0.72 | HPGDS (0.61) | PLK4PAK4PDE2AKDM4EMEN1 | |
| SCHEMBL29705692 | 0.72 | HPGDS (0.61) | PLK4PAK4PDE2AKDM4EMEN1 | |
| SCHEMBL20569405 | 0.72 | GBA1 (0.53) | GBA1P2RX7AURKARPS6KB1GLP1R | |
| SCHEMBL22281549 | 0.71 | HPGDS (0.60) | PLK4PAK4PDE2AKDM4EMEN1 | |
| SCHEMBL30468603 | 0.70 | FADS1 (0.45) | GBA1FADS1IGF1RCDK1EGFR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020151707-A1 | NOVEL SMALL MOLECULE CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-07-30 | — | — | WO | disclosed |