Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MMP9 | P14780 | 2/20 | 0.33 |
| ▸ | MMP8 | P22894 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18074389 | 0.87 | CYP2D6 (0.38) | CYP2D6CYP2C19TP53ALDH1A1GAA | |
| SCHEMBL4696740 | 0.84 | — | — | |
| SCHEMBL10040091 | 0.84 | TDP1 (0.38) | CYP2D6CYP2C19ALDH1A1CA2MMP9 | |
| SCHEMBL6421430 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL21597898 | 0.82 | — | — | |
| SCHEMBL15109899 | 0.82 | TDP1 (0.37) | CYP2D6CYP2C19TP53ALDH1A1GAA | |
| SCHEMBL6421425 | 0.82 | — | — | |
| SCHEMBL28457602 | 0.82 | DPP4 (0.31) | CYP2D6CYP2C19DPP4 | |
| SCHEMBL8379073 | 0.80 | — | — | |
| SCHEMBL42490 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0812311-B1 | HIGHLY POLYMERIZABLE N-VINYLCARBOXYLIC ACID AMIDE AND PRODUCTION PROCESS THEREOF | SHOWA DENKO KK (JP) | 2002-03-20 | — | — | EP | claimed |