Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | POLB | P06746 | 4/20 | 0.48 |
| ▸ | UTRN | P46939 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20469749 | 0.82 | NPC1 (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL20469752 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL29572967 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL23033529 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL23033727 | 0.81 | KDM4E (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL20469756 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL23033731 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL28713841 | 0.80 | NPC1 (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL23033360 | 0.80 | NPC1 (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL20469796 | 0.79 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E |
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-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |