Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 8/20 | 0.46 |
| ▸ | HTR2C | P28335 | 7/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL644453 | 0.90 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2MMP13 | |
| SCHEMBL643581 | 0.82 | HTR2A (0.49) | HTR2AHTR2CKCNH2DRD2MMP13 | |
| SCHEMBL3240288 | 0.82 | HTR2A (0.49) | HTR2AHTR2CKCNH2DRD2MMP13 | |
| SCHEMBL31435684 | 0.81 | GAA (0.43) | MMP13CA1CA2MMP1MMP2 | |
| SCHEMBL11120903 | 0.81 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2ALDH1A1 | |
| Formic Acid SCHEMBL28110710 | 0.79 | HTR2A (0.44) | HTR2AHTR2CKCNH2DRD2MMP13 | |
| SCHEMBL5212828 | 0.78 | CYP11B1 (0.49) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL28343860 | 0.78 | HTR2A (0.46) | HTR2AHTR2CKCNH2DRD2MMP13 | |
| SCHEMBL13043174 | 0.77 | MMP13 (0.63) | MMP13CA1CA2MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL4095644 | 0.76 | CYP11B1 (0.48) | HTR2AHTR2CKCNH2DRD2EPHX2 |
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-105531268-B | Noval chemical compound and its pharmaceutical composition for treating cystic fibrosis | 加拉佩格斯股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-105531268-A | Novel compounds and pharmaceutical compositions thereof for the treatment of cystic fibrosis | GALAPAGOS NV | 2016-04-27 | — | — | CN | disclosed |