Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.54 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.54 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | PDE5A | O76074 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28574217 | 1.00 | MEN1 (0.55) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL29367007 | 0.91 | NPC1 (0.58) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL28593204 | 0.91 | NPC1 (0.58) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL12015939 | 0.84 | NPC1 (0.73) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL28574516 | 0.83 | HDAC6 (0.61) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL28571808 | 0.83 | RAB9A (0.59) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL23220346 | 0.82 | NPC1 (0.67) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL1347135 | 0.80 | GUSB (0.54) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL6155747 | 0.79 | GUSB (0.70) | MEN1KMT2ANPC1RAB9AKDM4E | |
| SCHEMBL12336520 | 0.78 | PIK3CD (0.56) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112981436-B | Method for synthesizing 2-amino-1, 3, 4-thiadiazole derivative through electrochemical oxidation | 昆明学院 | 2022-02-01 | — | — | CN | disclosed |