Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 2/20 | 0.45 |
| ▸ | NMT1 | P30419 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16928527 | 0.91 | ACP1 (0.56) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL16928011 | 0.89 | ACP1 (0.48) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL16928205 | 0.89 | NMT1 (0.51) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL19873467 | 0.88 | ACP1 (0.40) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL19873510 | 0.88 | TRPV1 (0.36) | ACP1CHRM3DRD2DRD3 | |
| SCHEMBL16928309 | 0.87 | ACP1 (0.47) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL16928222 | 0.87 | ACP1 (0.45) | ACP1NMT1HRH2HRH1HRH3 | |
| SCHEMBL19873462 | 0.86 | CAMK2D (0.48) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL16928030 | 0.85 | CHRM3 (0.42) | ACP1NMT1CHRM3HRH2HRH1 | |
| SCHEMBL16928032 | 0.84 | CAMK2D (0.44) | ACP1NMT1CHRM3HRH2HRH1 |
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 |