Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1100359 | 0.84 | DAO (0.61) | DAOALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL11581779 | 0.77 | DAO (0.49) | DAOALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL481873 | 0.76 | DAO (0.72) | DAOAKR1C3AKR1C2NOS3NOS1 | |
| SCHEMBL30716975 | 0.76 | DAO (0.53) | DAOAKR1C3AKR1C2PARP1 | |
| SCHEMBL482202 | 0.76 | DAO (0.53) | DAOAKR1C3AKR1C2PARP1 | |
| SCHEMBL31538134 | 0.76 | DAO (0.53) | DAOALDH1A1AKR1C3AKR1C2MAPT | |
| SCHEMBL482578 | 0.76 | KDM4E (0.56) | DAOALDH1A1AKR1C3MAPTKDM4E | |
| SCHEMBL6230934 | 0.73 | NOS1 (0.62) | ALDH1A1NOS3NOS1NOS2MAPT | |
| SCHEMBL29896740 | 0.71 | ALPL (0.49) | DAOAKR1C3AKR1C2MAPT | |
| SCHEMBL29705824 | 0.71 | PARP1 (0.49) | DAOALDH1A1AKR1C3AKR1C2PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110117284-B | Nitrogen-containing heterocyclic compound and preparation method and application thereof | 江苏奥赛康药业有限公司 | 2021-11-19 | — | — | CN | disclosed |
| WO-2013007663-A1 | 2-BENZYLSULFANYL[1,3,4]-OXADIAZOLE DERIVATIVES, AND MEDICAL USE THEREOF | Technische Universität Darmstadt (DE) | 2013-01-17 | — | — | WO | disclosed |