Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCDIN3D | Q7Z5W3 | 3/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19873485 | 0.80 | CA1 (0.40) | MAPTKDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL19873539 | 0.79 | RAB9A (0.42) | MAPTKMT2ATYK2RAB9AGBA1 | |
| SCHEMBL19873501 | 0.77 | TYK2 (0.41) | TYK2GBA1 | |
| SCHEMBL19873457 | 0.76 | AURKA (0.41) | BCDIN3DMAPTTTKALDH1A1KMT2A | |
| SCHEMBL16927921 | 0.75 | KCNH3 (0.50) | MAPTNPSR1KDM4EKMT2AKCNH3 | |
| SCHEMBL19873522 | 0.75 | CHRNB4 (0.47) | GBA1 | |
| SCHEMBL19873494 | 0.75 | KDM4E (0.40) | BCDIN3DMAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL16928336 | 0.72 | HTT (0.47) | MAPTTTKKMT2AGBA1 | |
| SCHEMBL19873497 | 0.72 | MAPK14 (0.35) | P2RY1MAPTTTKKDM4EALDH1A1 | |
| SCHEMBL19873502 | 0.71 | CHRNA7 (0.48) | BCDIN3D |
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 |