Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30657539 | 1.00 | CYP1B1 (0.62) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL1581709 | 0.90 | CYP1B1 (0.59) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| Cyanide SCHEMBL27937317 | 0.85 | CYP1B1 (0.55) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL21598023 | 0.84 | CYP1A2 (0.51) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL5109433 | 0.84 | CYP1A2 (0.51) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL14528285 | 0.82 | CYP1B1 (0.48) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL23439163 | 0.82 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL383480 | 0.82 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL21598051 | 0.82 | CYP1A2 (0.54) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 | |
| SCHEMBL19406784 | 0.82 | CYP1B1 (0.52) | CYP1B1CYP1A2CYP2C9CYP2C19TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006130627-A2 | METHODS FOR TREATING HEPATITIS C | SCHERING CORPORATION (US) | 2006-12-07 | — | — | WO | disclosed |