Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 5/20 | 0.39 |
| ▸ | SAT1 | P21673 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GSR | P00390 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19424 | 1.00 | — | — | |
| SCHEMBL28263242 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL28244437 | 0.97 | — | — | |
| SCHEMBL28217997 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7037872 | 0.97 | — | — | |
| Diethylamine SCHEMBL28211596 | 0.97 | TP53 (0.53) | CYP2C19MEN1GLAKMT2ATSHR | |
| Water SCHEMBL27585512 | 0.97 | — | — | |
| SCHEMBL26967041 | 0.97 | — | — | |
| Bromide SCHEMBL28379330 | 0.97 | — | — | |
| SCHEMBL27832787 | 0.97 | — | — |
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-105705482-A | Production of terephthalic acid di-esters using alcohol-amine promoters | 伊士曼化工公司 | 2016-06-22 | — | — | CN | disclosed |