Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 16/20 | 1.00 |
| ▸ | HEXA | P06865 | 2/20 | 0.58 |
| ▸ | HEXB | P07686 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL12487396 | 0.85 | DHFR (1.00) | DHFRHEXAHEXB | |
| Hydrochloric Acid SCHEMBL12486624 | 0.84 | DHFR (1.00) | DHFRHEXAHEXB | |
| SCHEMBL31155861 | 0.80 | DHFR (0.70) | DHFR | |
| SCHEMBL12487635 | 0.79 | DHFR (1.00) | DHFRHEXAHEXB | |
| SCHEMBL31155805 | 0.77 | DHFR (0.62) | DHFR | |
| SCHEMBL31155835 | 0.76 | DHFR (0.66) | DHFR | |
| Hydrochloric Acid SCHEMBL31155866 | 0.76 | DHFR (0.64) | DHFR | |
| SCHEMBL31155847 | 0.76 | DHFR (0.63) | DHFR | |
| SCHEMBL12368253 | 0.74 | HEXA (1.00) | DHFRHEXAHEXB | |
| SCHEMBL31155783 | 0.74 | DHFR (0.58) | DHFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012121682-A2 | ANTI-FOLATE ANTIMALARIALS WITH DUAL-BINDING MODES AND THEIR PREPARATION | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2012-09-13 | — | — | WO | claimed |
| 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 |
| WO-2012121682-A2 | ANTI-FOLATE ANTIMALARIALS WITH DUAL-BINDING MODES AND THEIR PREPARATION | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2012-09-13 | — | — | WO | disclosed |