Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL285901 | 0.86 | POLB (0.42) | KMT2ATSHRPOLB | |
| SCHEMBL285902 | 0.86 | POLB (0.42) | KMT2ATSHRPOLB | |
| SCHEMBL285868 | 0.86 | IKBKB (0.35) | — | |
| SCHEMBL285869 | 0.86 | IKBKB (0.35) | — | |
| SCHEMBL285784 | 0.85 | TSHR (0.35) | KMT2ATSHRPOLB | |
| SCHEMBL285699 | 0.83 | GABRA5 (0.43) | POLB | |
| SCHEMBL285701 | 0.83 | GABRA5 (0.43) | POLB | |
| SCHEMBL286202 | 0.82 | ALDH1A1 (0.38) | TSHR | |
| SCHEMBL2749746 | 0.82 | ALDH1A1 (0.38) | TSHR | |
| SCHEMBL286203 | 0.82 | ALDH1A1 (0.38) | TSHR |
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-2427459-A1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |