Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.42 |
| ▸ | DAGLA | Q9Y4D2 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL350911 | 0.79 | HSD11B1 (0.48) | HSD11B1SLC18A3ABHD6DAGLA | |
| SCHEMBL2606119 | 0.79 | ADRA2A (0.53) | — | |
| SCHEMBL27304337 | 0.79 | HSD11B1 (0.45) | HSD11B1SLC18A3ABHD6DAGLA | |
| SCHEMBL27492 | 0.77 | — | — | |
| SCHEMBL25645586 | 0.77 | ADRA2A (0.51) | — | |
| SCHEMBL11470450 | 0.77 | ADRA2A (0.51) | — | |
| Ammonia Solution, Strong SCHEMBL3645001 | 0.77 | ADRA2A (0.51) | — | |
| SCHEMBL12125006 | 0.76 | — | — | |
| SCHEMBL28627062 | 0.76 | — | — | |
| SCHEMBL11470279 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002081474-A1 | TRIAZOLOPHTHALAZINE / QUINOLINE / ISOQUINOLINE DERIVATIVES WHICH ARE LIGANDS FOR GABA-A RECEPTORS CONTAINING THE ALPHA 5 SUBTYPE | MERCK SHARP & DOHME LIMITED (GB) | 2002-10-17 | — | — | WO | disclosed |