Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.71 |
| ▸ | NPC1 | O15118 | 5/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | TP53 | P04637 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.62 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.62 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.59 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11458980 | 0.87 | KMT2A (0.60) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL3209880 | 0.84 | KDM4E (0.73) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL4436642 | 0.84 | KCNK3 (0.77) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL19747244 | 0.84 | NPC1 (0.70) | RAB9ANPC1KMT2AGAASMN1; SMN2 | |
| SCHEMBL30758588 | 0.83 | RAB9A (1.00) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL1499642 | 0.83 | RAB9A (1.00) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL27941961 | 0.83 | RAB9A (0.71) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL9208778 | 0.83 | NPC1 (0.71) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL30726106 | 0.83 | NPC1 (0.71) | RAB9ANPC1KMT2AKDM4EGAA | |
| SCHEMBL11590385 | 0.83 | KMT2A (0.83) | RAB9ANPC1KMT2AKDM4EGAA |
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-112110877-B | Benzisoselenazolone derivative, preparation method and application thereof in anti-coronavirus medicament | 青岛大学 | 2023-09-08 | — | — | CN | disclosed |
| CN-112110877-A | Benzisoselenazolone derivative, preparation method and application in anti-coronavirus drugs | 青岛大学 | 2020-12-22 | — | — | CN | disclosed |