Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL10030748 | 1.00 | ALDH1A1 (0.34) | ALDH1A1GRIN1GRIN2BTHRB | |
| SCHEMBL13004917 | 0.93 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL13580272 | 0.92 | CYP19A1 (0.33) | GRIN1GRIN2B | |
| SCHEMBL17614044 | 0.91 | ALDH1A1 (0.38) | ALDH1A1THRB | |
| SCHEMBL9970229 | 0.91 | ALDH1A1 (0.38) | ALDH1A1THRB | |
| SCHEMBL91315 | 0.86 | ALDH1A1 (0.34) | ALDH1A1THRB | |
| SCHEMBL1397186 | 0.84 | ALDH1A1 (0.33) | ALDH1A1THRB | |
| SCHEMBL91316 | 0.84 | CHRM2 (0.36) | ALDH1A1THRB | |
| SCHEMBL2779120 | 0.84 | ALDH1A1 (0.33) | ALDH1A1THRB | |
| SCHEMBL20869334 | 0.83 | ALDH1A1 (0.31) | ALDH1A1 |
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-2692826-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-04-13 | — | — | EP | disclosed |