Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.41 |
| ▸ | ERN1 | O75460 | 2/20 | 0.40 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | GAPDH | P04406 | 1/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24440894 | 0.97 | AMY1A (0.41) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL15338821 | 0.95 | GAPDH (0.41) | ERN1GAPDHAPPCYP2C19AKR1C3 | |
| SCHEMBL26144313 | 0.94 | ERN1 (0.42) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL26144314 | 0.94 | ERN1 (0.42) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL15338898 | 0.93 | GAPDH (0.40) | ERN1TDP2GAPDHAPPCYP2C19 | |
| SCHEMBL25945446 | 0.93 | AMY1A (0.39) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL20428195 | 0.92 | ERN1 (0.40) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL21663325 | 0.92 | ERN1 (0.40) | ARPTGS2ERN1AMY1ATDP2 | |
| SCHEMBL15338894 | 0.91 | APP (0.39) | PTGS2ERN1TDP2PTGS1GAPDH | |
| SCHEMBL20643586 | 0.90 | AKR1C3 (0.45) | PTGS2CYP2C19AKR1C3AKR1C2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3428246-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |
| EP-3067406-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-04-24 | — | — | EP | disclosed |
| EP-2937401-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-04-05 | — | — | EP | disclosed |