Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 1/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL16801959 | 1.00 | CYP26A1 (0.47) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL29169556 | 1.00 | CYP26A1 (0.47) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL14174043 | 0.95 | CYP26A1 (0.46) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL11792393 | 0.94 | CYP26A1 (0.45) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL29169530 | 0.94 | CYP26A1 (0.45) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL29169524 | 0.94 | CYP26A1 (0.45) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL19050139 | 0.83 | CYP26A1 (0.46) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL11795739 | 0.81 | CYP26A1 (0.45) | CYP26A1CYP24A1PTGS1PTGS2KMT2A | |
| SCHEMBL29718876 | 0.80 | PTGS1 (0.42) | PTGS1PTGS2KMT2AOPRK1HTT | |
| SCHEMBL30825588 | 0.80 | PTGS1 (0.52) | CYP24A1PTGS1PTGS2KMT2AOPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118086237-A | Carbonyl reductase mutant and application thereof in synthesis of chiral 2, 2-disubstituted-3-hydroxy cyclic ketone | 浙江大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-117701516-A | Alkene reductase, enzyme preparation, nucleic acid, expression vector, preparation method and application | 河北工业大学 | 2024-03-15 | — | — | CN | disclosed |