Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21723625 | 0.85 | PSEN1 (0.41) | HSD17B10ALDH1A1HTR2ASLC6A4KCNH2 | |
| SCHEMBL21723648 | 0.81 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL21723420 | 0.81 | HSP90AA1 (0.46) | ALDH1A1AOC3 | |
| SCHEMBL21724251 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HTR2A | |
| SCHEMBL21724485 | 0.80 | SMN1; SMN2 (0.47) | ALDH1A1AOC3 | |
| SCHEMBL21724450 | 0.79 | TAS2R14 (0.39) | ALDH1A1HTR2A | |
| SCHEMBL21723953 | 0.78 | HTT (0.41) | ALDH1A1 | |
| SCHEMBL21723463 | 0.78 | KDM4E (0.49) | ALDH1A1 | |
| SCHEMBL21723614 | 0.77 | KMT2A (0.38) | ALDH1A1 | |
| SCHEMBL21724709 | 0.73 | PYCR1 (0.48) | ALDH1A1IDO1SLC6A4KCNH2 |
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 |