Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 4/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 3/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | EPOR | P19235 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28475356 | 0.92 | CACNA1B (0.50) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL6752491 | 0.85 | CACNA1B (0.49) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL28475360 | 0.85 | CACNA1B (0.52) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL9997372 | 0.85 | CACNA1B (0.49) | CACNA1BMAOAMAOBRELAMMP1 | |
| SCHEMBL28812386 | 0.84 | CYP1A2 (0.50) | CACNA1BMAOAMAOBRELANPC1 | |
| SCHEMBL28706860 | 0.84 | GRIK1 (0.54) | MAOAMAOBRELAFBP1NPC1 | |
| SCHEMBL28691332 | 0.84 | NFE2L2 (0.48) | CACNA1BRELAPTGS1PTGS2NPC1 | |
| SCHEMBL28812374 | 0.84 | SLC6A19 (0.55) | CACNA1BMAOAMAOBCYP4F2CYP4A11 | |
| SCHEMBL1158019 | 0.83 | MMP1 (0.51) | CACNA1BMAOBMMP1MMP2MMP9 | |
| SCHEMBL1158016 | 0.83 | MMP1 (0.51) | CACNA1BMAOBMMP1MMP2MMP9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115108938-B | Chiral alpha-substituted deuterated amino acid compound and preparation method thereof | 武汉大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-111689887-B | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-111689887-A | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2020-09-22 | — | — | CN | disclosed |