Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PRNP | P04156 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | SULT1A1 | P50225 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22534224 | 1.00 | HDAC2 (0.42) | HDAC2HDAC8HDAC6CYP17A1ALDH1A1 | |
| SCHEMBL22534248 | 0.84 | BACE1 (0.36) | ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL29935469 | 0.84 | BACE1 (0.36) | ALDH1A1KDM4EMAPTRAB9A | |
| SCHEMBL22534230 | 0.84 | HRH3 (0.41) | NQO1 | |
| SCHEMBL29935413 | 0.84 | HRH3 (0.41) | NQO1 | |
| SCHEMBL28900366 | 0.82 | ERN1 (0.43) | ALDH1A1KDM4EPOLBMAPTRECQL | |
| SCHEMBL22534212 | 0.79 | PRNP (0.38) | KDM4EPRNPCYP11B1CYP11B2RAB9A | |
| SCHEMBL29935415 | 0.79 | PRNP (0.38) | KDM4EPRNPCYP11B1CYP11B2RAB9A | |
| SCHEMBL22534290 | 0.79 | BACE1 (0.41) | HDAC2KDM4EPRNPMAPTPDE10A | |
| SCHEMBL29935649 | 0.79 | HTR3A (0.37) | ALDH1A1KDM4EPRNPPDE10ACYP1A2 |
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-111793025-B | Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof | 中国科学院上海药物研究所 | 2022-09-23 | — | — | CN | disclosed |