Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 14/20 | 1.00 |
| ▸ | HEXA | P06865 | 4/20 | 0.65 |
| ▸ | HEXB | P07686 | 4/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL12486624 | 0.99 | DHFR (1.00) | DHFRHEXAHEXBMEN1SLC22A1 | |
| SCHEMBL12487635 | 0.93 | DHFR (1.00) | DHFRHEXAHEXBMEN1SLC22A1 | |
| SCHEMBL12525588 | 0.86 | DHFR (0.85) | DHFRHEXAHEXBMEN1SLC22A1 | |
| SCHEMBL12487404 | 0.85 | DHFR (1.00) | DHFRHEXAHEXB | |
| Hydrochloric Acid SCHEMBL11183905 | 0.85 | DHFR (0.78) | DHFRHEXAHEXBMEN1SLC22A1 | |
| SCHEMBL31155811 | 0.80 | DHFR (0.91) | DHFRTP53 | |
| SCHEMBL12368248 | 0.79 | HEXA (1.00) | DHFRHEXAHEXBMEN1SLC22A1 | |
| SCHEMBL16622144 | 0.78 | DHFR (0.63) | DHFRHEXAHEXBCYP3A4 | |
| SCHEMBL31155798 | 0.77 | DHFR (0.71) | DHFR | |
| SCHEMBL31155887 | 0.76 | DHFR (0.67) | DHFRLMNA |
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 5 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 |
| 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 |