Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TP53 | P04637 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29479714 | 0.75 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL23012818 | 0.75 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL29479662 | 0.75 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL23012361 | 0.75 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL29479584 | 0.72 | PIK3CB (0.67) | NPC1RAB9AKDM4ESMN1; SMN2TP53 | |
| SCHEMBL23033952 | 0.72 | PIK3CB (0.67) | NPC1RAB9AKDM4ESMN1; SMN2TP53 | |
| SCHEMBL29479605 | 0.72 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL28714631 | 0.72 | NPC1 (0.40) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL23012359 | 0.72 | HSD17B10 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL29479847 | 0.72 | HSD17B10 (0.54) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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 |