Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.43 |
| ▸ | RXRB | P28702 | 2/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
| ▸ | RARG | P13631 | 2/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL30008288 | 1.00 | RXRA (0.43) | RXRARXRBRXRGDHODHNR4A2 | |
| SCHEMBL29135371 | 0.91 | MAPT (0.40) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL30008279 | 0.91 | MAPT (0.40) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL30008027 | 0.83 | MAPT (0.37) | DHODHNPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL30007998 | 0.83 | MAPT (0.35) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL29135368 | 0.81 | SGK1 (0.40) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL30009135 | 0.81 | SGK1 (0.40) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL30008895 | 0.81 | TDO2 (0.39) | DHODHKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL30679191 | 0.80 | ALDH1A1 (0.47) | KDM4ENPC1ALDH1A1LMNAHPGD | |
| SCHEMBL30008462 | 0.79 | BTK (0.52) | KDM4ENPC1ALDH1A1LMNAHPGD |
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-115197138-B | Preparation method of isoquinoline derivative | 广东工业大学 | 2023-12-15 | — | — | CN | disclosed |