Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL10872930 | 0.96 | THRA (0.34) | ALDH1A1HPGDIDH1CCR2MGLL | |
| SCHEMBL10873430 | 0.95 | THRA (0.32) | ALDH1A1HPGDIDH1CCR2 | |
| SCHEMBL10872842 | 0.91 | — | — | |
| SCHEMBL10946839 | 0.91 | THRA (0.32) | ALDH1A1HPGD | |
| SCHEMBL10949692 | 0.84 | IDH1 (0.32) | ALDH1A1HPGDIDH1CCR2 | |
| SCHEMBL10872338 | 0.83 | ALDH1A1 (0.32) | ALDH1A1HPGDMGLL | |
| SCHEMBL10948600 | 0.82 | KMT2A (0.37) | ALDH1A1HPGD | |
| SCHEMBL10874062 | 0.81 | ALDH1A1 (0.33) | ALDH1A1HPGD | |
| SCHEMBL10947790 | 0.80 | SCN9A (0.36) | ALDH1A1HPGD | |
| SCHEMBL10951393 | 0.79 | CCR2 (0.34) | ALDH1A1HPGDIDH1CCR2 |
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-0085995-B1 | ANISOTROPIC COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS | MERCK PATENT GmbH (DE) | 1986-04-09 | — | — | EP | disclosed |
| US-4514317-A | A BICYCLO(2,2,2,) OCTANE RING AND DICYANO SUBSTITUTED BENZENE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-30 | — | — | US | disclosed |
| EP-0085995-A1 | Anisotropic compounds and liquid crystal compositions | MERCK PATENT GmbH (DE) | 1983-08-17 | — | — | EP | disclosed |