Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28031035 | 0.81 | MAPT (0.43) | MAOAALDH1A1PDE7AMAOBMAPT | |
| SCHEMBL5313145 | 0.79 | MAOA (0.50) | BACE1MAOAALDH1A1MAOBCRBN | |
| SCHEMBL30426786 | 0.69 | CYP3A4 (0.46) | BACE1MAOAALDH1A1PDE7AMAOB | |
| SCHEMBL926391 | 0.69 | CYP3A4 (0.46) | BACE1MAOAALDH1A1PDE7AMAOB | |
| SCHEMBL29191701 | 0.69 | BACE1 (0.47) | BACE1MAOA | |
| SCHEMBL22468935 | 0.69 | BACE1 (0.44) | BACE1MAOAALDH1A1MAOBCRBN | |
| SCHEMBL29191702 | 0.69 | BACE1 (0.47) | BACE1MAOA | |
| SCHEMBL1025482 | 0.68 | ALDH1A1 (0.58) | ALDH1A1PDE7AMAPTPOLBHSP90AA1 | |
| Hydrochloric Acid SCHEMBL2651523 | 0.68 | CYP3A4 (0.44) | BACE1MAOAALDH1A1PDE7AMAOB | |
| SCHEMBL6834105 | 0.67 | ALDH1A1 (0.48) | ALDH1A1MAPTCA2CA1CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945291-A | Process for preparing albendazole intermediate 4-propylthio-o-phenylenediamine | UNIV JINAN | 2015-09-30 | — | — | CN | disclosed |