Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723420 | 0.91 | HSP90AA1 (0.46) | ALDH1A1KMT2AHSP90AA1CDK8CLK4 | |
| SCHEMBL21724450 | 0.89 | TAS2R14 (0.39) | ALDH1A1MEN1KMT2AHSP90AA1HTR1A | |
| SCHEMBL21723953 | 0.88 | HTT (0.41) | ALDH1A1HSP90AA1GAAKDM4EMAPT | |
| SCHEMBL21723463 | 0.88 | KDM4E (0.49) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL21723721 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL21723690 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2AHSP90AA1CDK8 | |
| SCHEMBL21723523 | 0.85 | MEN1 (0.34) | ALDH1A1MEN1KMT2AHSP90AA1PDE5A | |
| SCHEMBL21723580 | 0.85 | TSHR (0.47) | ALDH1A1HSP90AA1GAATTR | |
| SCHEMBL21723880 | 0.83 | PTPN1 (0.45) | ALDH1A1MEN1KMT2AHSP90AA1KDM4E | |
| SCHEMBL21723980 | 0.83 | CA2 (0.45) | ALDH1A1HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | claimed |
| WO-2020035826-A1 | 1,2-DITHIOLONE COMPOUNDS AND USE THEREOF | PI INDUSTRIES LTD. (IN) | 2020-02-20 | — | — | WO | disclosed |