Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6608001 | 0.90 | ALDH1A1 (0.41) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL6605814 | 0.85 | TP53 (0.39) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL27920592 | 0.82 | ALDH1A1 (0.52) | ALDH1A1GLATSHRMEN1KMT2A | |
| Water SCHEMBL27864846 | 0.82 | ALDH1A1 (0.68) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL4850924 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL3367921 | 0.82 | NPC1 (0.41) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL2539805 | 0.81 | ALDH1A1 (0.46) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL340272 | 0.80 | ALDH1A1 (0.70) | ALDH1A1GLATSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL10801383 | 0.79 | ALDH1A1 (0.48) | ALDH1A1GLATSHRMEN1KMT2A | |
| SCHEMBL16278131 | 0.79 | MLYCD (0.34) | MEN1KMT2ACYP3A4MLYCDADRA2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108794478-A | Novel purine derivatives class compound, preparation method, pharmaceutical composition and its pharmaceutical applications | 中国人民解放军军事医学科学院毒物药物研究所 | 2018-11-13 | — | — | CN | disclosed |
| CN-107556267-A | Novel thiazole derivates class compound, its preparation method, pharmaceutical composition and its pharmaceutical applications | 中国人民解放军军事医学科学院毒物药物研究所 | 2018-01-09 | — | — | CN | disclosed |
| EP-1037871-B1 | NOVEL ANTIARRHYTHMIC COMPOUNDS | GYOGYSZERKUTATO INTEZET (HU) | 2002-07-03 | — | — | EP | disclosed |
| US-6265445-B1 | CARDIOVASCULAR DISORDERS | GYOGYSZERKUTATO INTEZET KFT (HU) | 2001-07-24 | — | — | US | disclosed |
| US-4766213-A | 1,4-dihydropyridines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-08-23 | — | — | US | disclosed |
| EP-0237695-A2 | 1,4-Dihydropyridines | MERCK PATENT GmbH (DE) | 1987-09-23 | — | — | EP | disclosed |