Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | PDE6D | O43924 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.30 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905546 | 0.94 | CYP3A4 (0.34) | CYP3A4CYP2C19TSHRCYP2C9HIF1A | |
| SCHEMBL8907533 | 0.94 | CYP3A4 (0.34) | CYP3A4CYP2C19TSHRCYP2C9HIF1A | |
| SCHEMBL8905647 | 0.90 | CYP1A2 (0.33) | CYP1A2PDE10APPARG | |
| SCHEMBL8905755 | 0.88 | AGTR1 (0.33) | AGTR1AGTR2 | |
| SCHEMBL8905660 | 0.88 | CYP3A4 (0.33) | CYP3A4CYP2C19TSHRCYP2C9HIF1A | |
| SCHEMBL8905804 | 0.85 | KDM4E (0.40) | CYP3A4CYP2C9TP53AGTR1AGTR2 | |
| SCHEMBL8907815 | 0.85 | CYP1A2 (0.32) | CYP1A2PDE10APPARG | |
| SCHEMBL8905465 | 0.84 | — | — | |
| SCHEMBL8906067 | 0.84 | PLK1 (0.31) | CYP1A2PDE10A | |
| SCHEMBL8907613 | 0.84 | AGTR1 (0.37) | CYP3A4CYP2C9TP53AGTR1AGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5684029-A | HYPOTENSIVE AGENTS | KARL THOMAE GMBH (DE) | 1997-11-04 | — | — | US | disclosed |