Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.47 |
| ▸ | NMT1 | P30419 | 2/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TEK | Q02763 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | ACP1 | P24666 | 2/20 | 0.42 |
| ▸ | GBA1 | P04062 | 2/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19873488 | 0.87 | GBA1 (0.50) | CHRNB4CHRNA3NMT1ACP1GBA1 | |
| SCHEMBL19873539 | 0.84 | RAB9A (0.42) | GBA1 | |
| SCHEMBL19873501 | 0.83 | TYK2 (0.41) | ACP1GBA1HRH3 | |
| SCHEMBL19873454 | 0.80 | CAMK2D (0.44) | CHRNB4CHRNA3NMT1KDRACP1 | |
| SCHEMBL19873533 | 0.79 | GBA1 (0.40) | NMT1ACP1GBA1CAMK2DHRH2 | |
| SCHEMBL19873457 | 0.78 | AURKA (0.41) | AURKALCKKDRTEKAURKB | |
| SCHEMBL19873503 | 0.76 | CHRNA7 (0.46) | ACP1GBA1CAMK2D | |
| SCHEMBL16928548 | 0.76 | NMT1 (0.48) | CHRNB4CHRNA3NMT1AURKALCK | |
| SCHEMBL19873485 | 0.76 | CA1 (0.40) | GBA1 | |
| SCHEMBL19873478 | 0.76 | ROCK2 (0.39) | CHRNB4CHRNA3CAMK2D |
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 |