Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | CHAT | P28329 | 5/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL873130 | 0.83 | KDM4E (0.52) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL873129 | 0.83 | KDM4E (0.52) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL3162895 | 0.81 | RAB9A (0.59) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL14279418 | 0.81 | RAB9A (0.59) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL28388541 | 0.79 | CHAT (0.46) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL318014 | 0.79 | CHAT (0.49) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL6323842 | 0.79 | CHAT (0.51) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL29673969 | 0.79 | CHAT (0.49) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL318015 | 0.79 | CHAT (0.49) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT | |
| SCHEMBL8376769 | 0.79 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A1CYP1A2CYP2D6MAPT |
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-117466917-A | Heterocyclic derivative, preparation method and medical application thereof | 浙江海正药业股份有限公司 | 2024-01-30 | — | — | CN | disclosed |