Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL26481787 | 0.87 | CTSK (0.34) | APPCYP3A4CYP2C9CTSCCTSK | |
| SCHEMBL26481790 | 0.84 | CYP3A4 (0.35) | APPCYP3A4CYP2C9CTSCCTSK | |
| SCHEMBL26565661 | 0.82 | APP (0.37) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481784 | 0.82 | CTSK (0.35) | CTSCCTSKSLC5A2ABCB11ADORA3 | |
| SCHEMBL26558469 | 0.80 | CHRM2 (0.35) | APPCYP3A4CYP2C9 | |
| SCHEMBL26482595 | 0.78 | CYP3A4 (0.37) | APPCYP3A4CYP2C9 | |
| SCHEMBL24300676 | 0.77 | CYP3A4 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL26481782 | 0.75 | CHRM2 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL27254218 | 0.74 | CYP3A4 (0.36) | APPCYP3A4CYP2C9 | |
| SCHEMBL27027382 | 0.74 | CYP3A4 (0.39) | APPCYP3A4CYP2C9CTSCCTSK |
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-2023198669-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-19 | — | — | WO | disclosed |
| WO-2023198671-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-19 | — | — | WO | disclosed |