Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL1191489 | 1.00 | ALDH1A1 (0.31) | ALDH1A1AVPR2AVPR1A | |
| SCHEMBL12871888 | 1.00 | ALDH1A1 (0.31) | ALDH1A1AVPR2AVPR1A | |
| SCHEMBL13383449 | 0.72 | TSHR (0.35) | ALDH1A1 | |
| SCHEMBL13383439 | 0.72 | OR51E2 (0.34) | AVPR2AVPR1A | |
| SCHEMBL13383451 | 0.72 | OR51E2 (0.34) | — | |
| SCHEMBL11073756 | 0.70 | — | — | |
| SCHEMBL11776824 | 0.70 | — | — | |
| SCHEMBL16422616 | 0.70 | — | — | |
| SCHEMBL14444995 | 0.69 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL11772656 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7888338-B2 | 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2011-02-15 | — | — | US | disclosed |
| US-7888338-B2 | 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2011-02-15 | — | — | US | disclosed |