Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.33 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.33 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.33 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21724485 | 0.85 | SMN1; SMN2 (0.47) | GRIN1SMN1; SMN2HSD17B2ALDH1A1 | |
| SCHEMBL21724598 | 0.81 | CETP (0.44) | — | |
| SCHEMBL21723523 | 0.81 | MEN1 (0.34) | ALPLHSD17B2ALDH1A1CYP1A2RAB9A | |
| SCHEMBL21723951 | 0.80 | PYCR1 (0.48) | ALDH1A1 | |
| SCHEMBL21723880 | 0.80 | PTPN1 (0.45) | SMN1; SMN2ALDH1A1RAB9ATAS2R14 | |
| SCHEMBL21723933 | 0.78 | MEN1 (0.46) | GRIN1HSD17B2ALDH1A1 | |
| SCHEMBL21724535 | 0.78 | PYCR1 (0.46) | — | |
| SCHEMBL10852766 | 0.77 | RAB9A (0.46) | SMN1; SMN2CA12CA9ALDH1A1RAB9A | |
| SCHEMBL21723955 | 0.75 | MEP1A (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21723766 | 0.75 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1CYP1A2CYP2C19 |
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 |