Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | PKLR | P30613 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTR6 | P50406 | 5/20 | 0.55 |
| ▸ | GPR183 | P32249 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1180727 | 0.98 | TDO2 (0.59) | TDO2PKMPKLRTDP1HTR6 | |
| SCHEMBL31315849 | 0.88 | PKM (0.70) | PKMPKLRTDP1GPR183MEN1 | |
| SCHEMBL14489550 | 0.85 | ALDH1A1 (0.69) | PKMPKLRTDP1MEN1KMT2A | |
| SCHEMBL29779559 | 0.84 | PKM (0.58) | PKMPKLRTDP1GPR183MEN1 | |
| SCHEMBL28308929 | 0.83 | ALDH1A1 (0.67) | PKMPKLRMEN1KMT2AMAPT | |
| SCHEMBL4555427 | 0.83 | ALDH1A1 (0.67) | PKMPKLRMEN1KMT2AMAPT | |
| SCHEMBL31684030 | 0.83 | ALDH1A1 (0.67) | PKMPKLRMEN1KMT2AMAPT | |
| SCHEMBL7647149 | 0.82 | PKM (0.59) | PKMPKLRTDP1GPR183MEN1 | |
| SCHEMBL6798179 | 0.81 | MBTD1 (0.59) | TDO2PKMHTR6GPR183MEN1 | |
| SCHEMBL654409 | 0.81 | MEN1 (0.73) | PKMHTR6MEN1KMT2AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118745132-A | Cedrus alcohol derivative and preparation method and application thereof | 沈阳药科大学 | 2024-10-08 | — | — | CN | disclosed |
| CN-117720528-A | Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |
| CN-117586179-A | GPR183 antagonist and synthetic method and application thereof | 中国人民解放军海军特色医学中心 | 2024-02-23 | — | — | CN | disclosed |