Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 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 | |
|---|---|---|---|---|
| SCHEMBL6062229 | 0.90 | TAAR1 (0.41) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5358129 | 0.88 | TAAR1 (0.48) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6062677 | 0.85 | TAAR1 (0.38) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6062720 | 0.85 | TAAR1 (0.38) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5346533 | 0.85 | TAAR1 (0.38) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5353065 | 0.85 | TAAR1 (0.38) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6063398 | 0.84 | TAAR1 (0.37) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL5355149 | 0.83 | TAAR1 (0.39) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6062206 | 0.83 | TAAR1 (0.39) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL6063724 | 0.82 | TAAR1 (0.44) | TAAR1ALDH1A1CYP1A1CYP1B1CYP1A2 |
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-20060264320-A1 | Hydrophobization and silica for supported catalyst | RODRIGUEZ GEORGE | 2006-11-23 | — | — | US | disclosed |