Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 5/20 | 0.46 |
| ▸ | SAT1 | P21673 | 3/20 | 0.42 |
| ▸ | ADH1B | P00325 | 2/20 | 0.42 |
| ▸ | ADH1C | P00326 | 2/20 | 0.42 |
| ▸ | ADH1A | P07327 | 2/20 | 0.42 |
| ▸ | ADH7 | P40394 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL36957 | 0.91 | — | — | |
| SCHEMBL11718692 | 0.88 | TSHR (0.82) | TSHRCYP2C19MEN1GLAKMT2A | |
| Water SCHEMBL27224392 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL22771964 | 0.88 | — | — | |
| SCHEMBL11106382 | 0.88 | TSHR (0.93) | TSHRCYP2C19MEN1GLAKMT2A | |
| Bromide SCHEMBL27224390 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL4387461 | 0.88 | — | — | |
| SCHEMBL21065765 | 0.88 | — | — | |
| Iodide SCHEMBL27224391 | 0.88 | — | — | |
| SCHEMBL20922334 | 0.85 | TSHR (0.88) | TSHRCYP2C19MEN1GLAKMT2A |
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-0289262-A2 | Omega-quaternary ammonium alkyl esters and thioesters of acidic nonsteroidal antiinflammatory drugs | SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) | 1988-11-02 | — | — | EP | disclosed |