Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 18/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 18/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6910289 | 0.76 | TP53 (0.45) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL28100954 | 0.75 | TP53 (0.47) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL10615616 | 0.74 | NR1H2 (0.44) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL11319898 | 0.73 | TP53 (0.46) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL6237043 | 0.72 | NR1H2 (0.50) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL23555104 | 0.70 | KCNA5 (0.48) | NR1H2NR1H3 | |
| SCHEMBL1381701 | 0.70 | NR1H2 (0.74) | NR1H2NR1H3 | |
| SCHEMBL2754132 | 0.70 | NR1H2 (0.45) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL2398343 | 0.70 | TAAR1 (0.47) | NR1H2NR1H3TP53MAPT | |
| SCHEMBL10939839 | 0.70 | TSHR (0.43) | NR1H2NR1H3TP53MAPT |
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-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | disclosed |