Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL8905553 | 0.94 | AGTR1 (0.33) | CYP3A4CYP2C19TSHRCYP2C9HIF1A | |
| SCHEMBL8907540 | 0.94 | CYP3A4 (0.31) | CYP3A4CYP2C19TSHR | |
| SCHEMBL8905654 | 0.90 | PPARG (0.31) | — | |
| SCHEMBL8905761 | 0.88 | AGTR1 (0.33) | — | |
| SCHEMBL8905653 | 0.88 | CYP3A4 (0.35) | CYP3A4CYP2C19TSHRTP53CYP2C9 | |
| SCHEMBL8907819 | 0.85 | PIK3R2 (0.31) | — | |
| SCHEMBL8906071 | 0.84 | PIK3R2 (0.30) | — | |
| SCHEMBL8905808 | 0.84 | ALDH1A1 (0.39) | CYP3A4TP53CYP2C9 | |
| SCHEMBL8791417 | 0.83 | AGTR1 (0.45) | — | |
| SCHEMBL8905754 | 0.83 | PPARG (0.44) | CYP3A4CYP2C9 |
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 |