Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.44 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FOS | P01100 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
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 | 0.89 | HSP90AA1 (0.46) | ALDH1A1HSP90AA1CYP3A4 | |
| SCHEMBL21723980 | 0.86 | CA2 (0.45) | ALDH1A1HSP90AA1HSD17B2 | |
| SCHEMBL21724251 | 0.85 | ALDH1A1 (0.49) | ALDH1A1GAAHSP90AA1TTR | |
| SCHEMBL21724450 | 0.84 | TAS2R14 (0.39) | ALDH1A1HSP90AA1 | |
| SCHEMBL21723721 | 0.83 | ALDH1A1 (0.48) | TSHRALDH1A1HSP90AA1MAPK1LMNA | |
| SCHEMBL21723690 | 0.83 | ALDH1A1 (0.43) | ALDH1A1HSP90AA1MAPK1LMNA | |
| SCHEMBL21723463 | 0.83 | KDM4E (0.49) | ALDH1A1 | |
| SCHEMBL21723953 | 0.83 | HTT (0.41) | TSHRALDH1A1GAATDP1HSP90AA1 | |
| SCHEMBL21723880 | 0.81 | PTPN1 (0.45) | ALDH1A1HSP90AA1PTPN1 | |
| SCHEMBL21723648 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1HSP90AA1 |
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 |