Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.30 |
| ▸ | HMGCR | P04035 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23665424 | 0.85 | — | — | |
| SCHEMBL3714180 | 0.81 | HPGD (0.32) | HPGD | |
| SCHEMBL14428487 | 0.80 | ALDH1A1 (0.37) | PTGS2 | |
| SCHEMBL16959694 | 0.80 | ALDH1A1 (0.37) | PTGS2 | |
| SCHEMBL11233099 | 0.79 | CES2 (0.33) | HMGCRCYP3A4 | |
| SCHEMBL22418039 | 0.77 | CDK4 (0.38) | HPGD | |
| SCHEMBL17732763 | 0.76 | — | — | |
| SCHEMBL17365766 | 0.76 | — | — | |
| SCHEMBL14146088 | 0.76 | CNR2 (0.41) | — | |
| SCHEMBL154414 | 0.74 | ALDH1A1 (0.44) | HPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2993216-B1 | COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-07-26 | — | — | EP | disclosed |
| EP-2993216-A1 | COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2016-03-09 | — | — | EP | disclosed |