Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FABP2 | P12104 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18806042 | 0.92 | APP (0.40) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL18806022 | 0.86 | APP (0.41) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL18806043 | 0.86 | APP (0.44) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL19721764 | 0.84 | APP (0.43) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL18806032 | 0.81 | ELANE (0.34) | PTGS2KMT2ALMNAELANE | |
| SCHEMBL18806031 | 0.81 | ACACB (0.37) | AKR1C3AKR1C2KMT2ALMNAELANE | |
| SCHEMBL9607895 | 0.81 | ELANE (0.47) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL19187178 | 0.80 | PTGS2 (0.39) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL23507796 | 0.80 | APP (0.43) | APPCYP2C19AKR1C3AKR1C2PTGS1 | |
| SCHEMBL18511722 | 0.80 | APP (0.43) | APPCYP2C19AKR1C3AKR1C2PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024132893-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-27 | — | — | WO | disclosed |
| WO-2024126567-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2024-06-20 | — | — | WO | disclosed |