Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | CHAT | P28329 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | CDK2 | P24941 | 3/20 | 0.42 |
| ▸ | CCND3 | P30281 | 3/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 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 | |
|---|---|---|---|---|
| SCHEMBL28596985 | 0.91 | MAPT (0.48) | CHATMAPTLMNAALDH1A1CYP1A1 | |
| SCHEMBL28266888 | 0.91 | MAPT (0.48) | CHATMAPTLMNAALDH1A1CYP1A1 | |
| SCHEMBL29436024 | 0.81 | RELA (0.52) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL30010383 | 0.81 | RELA (0.52) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL51050 | 0.81 | RELA (0.52) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL51049 | 0.81 | RELA (0.52) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL5478882 | 0.79 | RELA (0.50) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL5478885 | 0.79 | RELA (0.50) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL22288258 | 0.79 | ALDH1A1 (0.49) | CHATMAPTALDH1A1CYP1A2MAPK1 | |
| SCHEMBL29661840 | 0.79 | ALDH1A1 (0.49) | CHATMAPTALDH1A1CYP1A2MAPK1 |
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-113278155-B | Near-infrared organic supramolecular assembly and preparation method and application thereof | 中国科学院理化技术研究所 | 2022-07-29 | — | — | CN | disclosed |
| CN-113278155-A | Near-infrared organic supramolecular assembly and preparation method and application thereof | 中国科学院理化技术研究所 | 2021-08-20 | — | — | CN | disclosed |