Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 10/20 | 0.50 |
| ▸ | NMT1 | P30419 | 2/20 | 0.48 |
| ▸ | ACP1 | P24666 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19873522 | 0.87 | CHRNB4 (0.47) | GBA1NMT1ACP1CHRNB4CHRNA3 | |
| SCHEMBL16928548 | 0.85 | NMT1 (0.48) | NMT1ACP1KMT2AALDH1A1CHRNB4 | |
| SCHEMBL19873471 | 0.84 | NMT1 (0.47) | NMT1ACP1KMT2AKDM4ECHRNB4 | |
| SCHEMBL16928081 | 0.82 | GBA1 (0.58) | GBA1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL19873533 | 0.82 | GBA1 (0.40) | GBA1NMT1ACP1KMT2AMAPT | |
| SCHEMBL19873454 | 0.82 | CAMK2D (0.44) | GBA1NMT1ACP1KMT2ACHRNB4 | |
| SCHEMBL17721582 | 0.81 | ACP1 (0.45) | NMT1ACP1KMT2ACHRNB4CHRNA3 | |
| SCHEMBL19873469 | 0.81 | GBA1 (0.56) | GBA1KMT2AMAPTKDM4EALDH1A1 | |
| SCHEMBL17721487 | 0.80 | TLR9 (0.47) | NMT1ACP1KMT2AMAPTCHRNB4 | |
| SCHEMBL16928011 | 0.79 | ACP1 (0.48) | NMT1ACP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351538-A1 | TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS | The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research (US) | 2018-07-25 | — | — | EP | disclosed |
| EP-2970153-B1 | TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS | THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) | 2018-02-21 | — | — | EP | disclosed |