Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.60 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.60 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.46 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18704004 | 1.00 | MCL1 (0.60) | MCL1ACMSDTLR8ALOX5PTPN22 | |
| SCHEMBL10028244 | 0.90 | MCL1 (0.57) | MCL1ACMSDTLR8ALOX5NSD2 | |
| SCHEMBL28350260 | 0.84 | APP (0.67) | MCL1ACMSDTLR8ALOX5APP | |
| SCHEMBL29744510 | 0.84 | APP (0.67) | MCL1ACMSDTLR8ALOX5APP | |
| SCHEMBL57214 | 0.83 | MCL1 (0.54) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL11782188 | 0.82 | MCL1 (0.64) | MCL1ACMSDTLR8ALOX5PTPN22 | |
| SCHEMBL4444811 | 0.81 | ALDH1A1 (0.56) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29770949 | 0.81 | MCL1 (0.46) | MCL1ACMSDTLR8ALOX5CA12 | |
| SCHEMBL18736016 | 0.80 | ALOX5 (0.66) | ACMSDALOX5PTPN22CA1CA2 | |
| Hydrochloric Acid SCHEMBL29492626 | 0.80 | NSD2 (0.51) | MCL1ACMSDALOX5PTPN22CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108138052-B | Chiral compounds | 默克专利股份有限公司 | 2022-04-12 | — | — | CN | disclosed |