Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27828876 | 0.87 | TDP1 (0.47) | ALDH1A1CSNK2A1FOLH1BACE1ALOX5 | |
| SCHEMBL27828640 | 0.84 | CSNK2A1 (0.42) | ALDH1A1TSHRCSNK2A1FOLH1BACE1 | |
| SCHEMBL1373277 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL27828637 | 0.82 | CSNK2A1 (0.44) | CSNK2A1FOLH1BACE1ALOX5TAAR1 | |
| SCHEMBL29712511 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL31366931 | 0.78 | ESR2 (0.53) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL17859694 | 0.78 | CSNK2A1 (0.68) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL30440667 | 0.78 | CSNK2A1 (0.68) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL12050458 | 0.78 | ESR2 (0.53) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 | |
| SCHEMBL28173221 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TRPA1TSHRCSNK2A1FOLH1 |
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-0649424-A1 | DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS | Knoll AG (DE) | 1995-04-26 | — | — | EP | disclosed |