Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28112834 | 1.00 | ALDH1A1 (0.51) | ALDH1A1GAATSHREPHX1CPB1 | |
| Tert-Butyl Formate SCHEMBL28875608 | 0.94 | EPHX1 (0.50) | ALDH1A1GAATSHREPHX1CPB1 | |
| Tert-Butyl Formate SCHEMBL27955423 | 0.93 | ALDH1A1 (0.56) | ALDH1A1GAATSHREPHX1CPB1 | |
| Formic Acid Methyl Ester SCHEMBL28112833 | 0.90 | ALDH1A1 (0.54) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL240039 | 0.89 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL240038 | 0.89 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CPB1 | |
| SCHEMBL2901586 | 0.89 | ALDH1A1 (0.63) | ALDH1A1GAATSHREPHX1CPB1 | |
| Hydrochloric Acid SCHEMBL243634 | 0.87 | ALDH1A1 (0.61) | ALDH1A1GAATSHREPHX1CPB1 | |
| Hydrochloric Acid SCHEMBL2854037 | 0.87 | ALDH1A1 (0.61) | ALDH1A1GAATSHREPHX1CPB1 | |
| Hydrochloric Acid SCHEMBL243635 | 0.87 | ALDH1A1 (0.61) | ALDH1A1GAATSHREPHX1CPB1 |
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-106188027-A | Heteroaromatic analog derivative and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-12-07 | — | — | CN | disclosed |