Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ASPH | Q12797 | 1/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28705125 | 0.80 | ALDH1A1 (0.51) | OPRK1KDM4EALDH1A1CYP1A2OPRD1 | |
| SCHEMBL11335494 | 0.80 | CYP19A1 (0.40) | OPRK1KDM4EALDH1A1OPRD1LMNA | |
| SCHEMBL28706183 | 0.78 | LMNA (0.44) | KDM4EALDH1A1LMNA | |
| SCHEMBL11000359 | 0.78 | CYP17A1 (0.43) | KDM4CCYP17A1OPRK1KDM4EOPRD1 | |
| SCHEMBL10832718 | 0.77 | CYP17A1 (0.42) | KDM4CCYP17A1OPRK1KDM4EOPRD1 | |
| SCHEMBL28283770 | 0.76 | SMN1; SMN2 (0.40) | OPRK1KDM4EOPRD1SMN1; SMN2 | |
| SCHEMBL1431164 | 0.72 | SMN1; SMN2 (0.40) | OPRK1ALDH1A1OPRD1OPRM1SMN1; SMN2 | |
| SCHEMBL18516672 | 0.71 | POLB (0.40) | KDM4COPRK1ALDH1A1CYP1A2OPRD1 | |
| SCHEMBL28701512 | 0.71 | SMN1; SMN2 (0.41) | KDM4ESMN1; SMN2 | |
| SCHEMBL18516666 | 0.71 | CYP26A1 (0.44) | OPRK1KDM4EOPRD1SMN1; SMN2 |
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-114230522-A | Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof | 四川大学 | 2022-03-25 | — | — | CN | disclosed |