Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21723721 | 0.92 | ALDH1A1 (0.48) | HSP90AA1ALDH1A1KDM4EKMT2A | |
| SCHEMBL21723690 | 0.92 | ALDH1A1 (0.43) | HSP90AA1ALDH1A1KDM4ECDK8CLK4 | |
| SCHEMBL21724251 | 0.91 | ALDH1A1 (0.49) | HSP90AA1ALDH1A1KDM4ECDK8CLK4 | |
| SCHEMBL21724450 | 0.90 | TAS2R14 (0.39) | HSP90AA1ALDH1A1KDM4EKMT2A | |
| SCHEMBL21723880 | 0.90 | PTPN1 (0.45) | HSP90AA1ALDH1A1KDM4EKMT2A | |
| SCHEMBL21723580 | 0.89 | TSHR (0.47) | HSP90AA1ALDH1A1CYP3A4 | |
| SCHEMBL21723463 | 0.89 | KDM4E (0.49) | ALDH1A1KDM4EACHEKMT2A | |
| SCHEMBL21723953 | 0.89 | HTT (0.41) | HSP90AA1ALDH1A1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL21723648 | 0.82 | ALDH1A1 (0.48) | HSP90AA1ALDH1A1ACHEKMT2A | |
| SCHEMBL21724485 | 0.81 | SMN1; SMN2 (0.47) | ALDH1A1AOC3ACHEKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | claimed |