Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 8/20 | 0.52 |
| ▸ | HEXB | P07686 | 8/20 | 0.52 |
| ▸ | DHFR | P00374 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15508426 | 0.81 | TLR8 (0.44) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL11497860 | 0.79 | GAA (0.36) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL19242058 | 0.77 | HEXA (0.47) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12484463 | 0.76 | HEXA (0.48) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL4147996 | 0.76 | HEXA (0.48) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL10049719 | 0.76 | LMNA (0.39) | ALDH1A1LMNA | |
| SCHEMBL20503385 | 0.74 | HEXA (0.47) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL6358662 | 0.74 | HEXA (0.47) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL3267542 | 0.74 | HEXA (0.47) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL15434706 | 0.74 | TLR8 (0.40) | HEXAHEXBDHFRMEN1SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2006096405-A2 | TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS WITH PYRIMETHAMINE AND ANALOGUES | ALSGEN, INC. (US) | 2006-09-14 | — | — | WO | disclosed |