Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 3/20 | 0.81 |
| ▸ | HEXB | P07686 | 3/20 | 0.81 |
| ▸ | DHFR | P00374 | 2/20 | 0.72 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | HTR2A | P28223 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | HTR2B | P41595 | 1/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL12368242 | 0.96 | HEXA (0.83) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL11592534 | 0.90 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL4838823 | 0.84 | DHFR (1.00) | HEXAHEXBDHFRGHSR | |
| SCHEMBL29913459 | 0.84 | DHFR (0.74) | HEXAHEXBDHFR | |
| SCHEMBL17790154 | 0.84 | HEXA (0.65) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL16275221 | 0.83 | HEXA (0.64) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL25129 | 0.83 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL15516970 | 0.83 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL29381161 | 0.83 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| SCHEMBL12368249 | 0.82 | HEXA (0.72) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4094976-A | ANTICOCCIDIAL CYCLICAMINO ETHANOLS AND ESTERS THEREOF | MERCK & CO., INC. (US) | 1978-06-13 | — | — | US | disclosed |