Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | ACACA | Q13085 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9607903 | 0.90 | THRB (0.44) | APPCYP2C19THRBERN1AKR1C3 | |
| SCHEMBL18258065 | 0.90 | THRB (0.47) | CYP2C19EPHX1THRBACACBACACA | |
| SCHEMBL26144138 | 0.89 | FFAR1 (0.39) | APPCYP2C19EPHX1THRBAKR1C3 | |
| SCHEMBL9607850 | 0.88 | THRB (0.43) | APPCYP2C19THRBERN1AKR1C3 | |
| SCHEMBL18773562 | 0.86 | CYP2C19 (0.53) | APPCYP2C19THRBERN1AKR1C3 | |
| SCHEMBL21469984 | 0.86 | BACE1 (0.48) | APPCYP2C19EPHX1THRBACACB | |
| SCHEMBL18082324 | 0.85 | CTSA (0.39) | APPCYP2C19THRBERN1AKR1C3 | |
| SCHEMBL21507746 | 0.85 | HSD17B10 (0.44) | APPCYP2C19THRB | |
| SCHEMBL18472253 | 0.84 | CYP2C19 (0.51) | APPCYP2C19THRBERN1AKR1C3 | |
| SCHEMBL18472419 | 0.84 | PTGS1 (0.46) | APPCYP2C19THRBAKR1C3AKR1C2 |
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-3130650-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2018-07-04 | — | — | EP | disclosed |