Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL13950640 | 0.69 | KRAS (0.39) | CYP1A2KRASALDH1A1LMNAPTGS1 | |
| SCHEMBL4495310 | 0.67 | CYP1A2 (0.44) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL5267535 | 0.65 | RARB (0.38) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL2426454 | 0.65 | ALDH1A1 (0.38) | CYP1A2KRASALDH1A1LMNAPTGS1 | |
| SCHEMBL18313751 | 0.64 | OPRM1 (0.36) | — | |
| SCHEMBL19112381 | 0.64 | — | — | |
| SCHEMBL2187769 | 0.63 | CYP1A2 (0.54) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL2187774 | 0.63 | CYP1A2 (0.54) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL4678663 | 0.61 | CYP1A2 (0.40) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL19167425 | 0.61 | CYP1A2 (0.40) | CYP1A2KRASALDH1A1LMNAPTGS1 |
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-1972614-A1 | Cyclopropanecarbonitrile analogues and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) | 2008-09-24 | — | — | EP | disclosed |