Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 5/20 | 0.47 |
| ▸ | HEXB | P07686 | 5/20 | 0.47 |
| ▸ | DHFR | P00374 | 9/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6358662 | 0.83 | HEXA (0.47) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL11860447 | 0.80 | HEXA (0.38) | HEXAHEXBDHFRMAPK1RECQL | |
| SCHEMBL27544017 | 0.77 | HEXA (0.49) | HEXAHEXBDHFRMAPK1RECQL | |
| SCHEMBL2072604 | 0.75 | HEXA (0.46) | HEXAHEXBDHFRMAPK1RECQL | |
| SCHEMBL20421605 | 0.69 | TLR8 (0.55) | DHFRTLR8 | |
| SCHEMBL3502224 | 0.67 | DHFR (0.78) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL6348834 | 0.67 | HEXA (0.77) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12368264 | 0.66 | HEXA (0.77) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12368245 | 0.66 | HEXA (0.77) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL3691752 | 0.66 | TLR8 (0.44) | DHFRALDH1A1LMNACYP1A2TLR8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017052479-A1 | 2,4-DIAMINO-6-ETHYLPYRIMIDINE DERIVATIVES WITH ANTIMALARIAL ACTIVITIES AGAINST PLASMODIUM FALCIPARUM | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2017-03-30 | — | — | WO | disclosed |