Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 14/20 | 0.63 |
| ▸ | HEXA | P06865 | 1/20 | 0.43 |
| ▸ | HEXB | P07686 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12487673 | 0.84 | DHFR (0.59) | DHFRHEXAHEXB | |
| SCHEMBL16622143 | 0.80 | DHFR (0.58) | DHFRHEXAHEXB | |
| SCHEMBL12487396 | 0.78 | DHFR (1.00) | DHFRHEXAHEXBCYP3A4 | |
| Hydrochloric Acid SCHEMBL12486624 | 0.77 | DHFR (1.00) | DHFRHEXAHEXBCYP3A4 | |
| SCHEMBL31155798 | 0.76 | DHFR (0.71) | DHFR | |
| Hydrochloric Acid SCHEMBL11183905 | 0.76 | DHFR (0.78) | DHFRHEXAHEXBCYP3A4 | |
| SCHEMBL31155811 | 0.76 | DHFR (0.91) | DHFR | |
| SCHEMBL3267488 | 0.74 | DHFR (0.80) | DHFR | |
| SCHEMBL3271737 | 0.74 | DHFR (0.58) | DHFRHEXAHEXB | |
| SCHEMBL12487404 | 0.74 | DHFR (1.00) | DHFRHEXAHEXB |
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 |
|---|---|---|---|---|---|---|---|
| US-9000003-B2 | Anti-folate antimalarials with dual-binding modes and their preparation | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2015-04-07 | — | — | US | disclosed |
| US-9000003-B2 | Anti-folate antimalarials with dual-binding modes and their preparation | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2015-04-07 | — | — | US | disclosed |