Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL102216 | 0.94 | FFAR3 (0.44) | CYP2D6CYP2C19MMP1MMP2MMP3 | |
| SCHEMBL10011 | 0.94 | — | — | |
| Propane SCHEMBL28986125 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27431624 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28112145 | 0.90 | — | — | |
| Phosphine SCHEMBL28376179 | 0.90 | — | — | |
| Bromide SCHEMBL1729291 | 0.90 | — | — | |
| Water SCHEMBL28848094 | 0.90 | MCL1 (0.46) | CYP2D6CYP2C19MMP1MMP2MMP3 | |
| SCHEMBL29275148 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29551256 | 0.90 | CYP2D6 (0.46) | CYP2D6CYP2C19MMP1MMP2MMP3 |
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-109956900-A | Compound and pharmaceutical composition comprising it | 财团法人工业技术研究院 | 2019-07-02 | — | — | CN | disclosed |