Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SNCA | P37840 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10834869 | 0.71 | CYP1A2 (0.31) | CYP1A2HAO1 | |
| SCHEMBL4495310 | 0.71 | CYP1A2 (0.44) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL4699289 | 0.69 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL2343880 | 0.67 | ALDH1A1 (0.33) | CYP1A2ALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL4583053 | 0.66 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL1843796 | 0.66 | CYP1A2 (0.39) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL4678663 | 0.65 | CYP1A2 (0.40) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL19167425 | 0.65 | CYP1A2 (0.40) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL1659293 | 0.65 | CYP1A2 (0.44) | CYP1A2ALDH1A1LMNAPTGS1DRD3 | |
| SCHEMBL23986724 | 0.64 | ALDH1A1 (0.37) | ALDH1A1KMT2ATDP1 |
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-7384897-B1 | Cyclopropanecarbonitrile analogues and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2008-06-10 | — | — | US | disclosed |