Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1325235 | 1.00 | CYP2A6 (0.40) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL58139 | 0.79 | — | — | |
| Ethylene SCHEMBL8984236 | 0.70 | ALOX12 (0.39) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL29061457 | 0.69 | ALOX12 (0.46) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL30702418 | 0.69 | ALOX12 (0.46) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL49871 | 0.69 | ALOX12 (0.46) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL58153 | 0.69 | ALOX12 (0.46) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| Naphthalene SCHEMBL4556166 | 0.67 | CYP2A6 (0.73) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 | |
| Carbon Monoxide SCHEMBL5589902 | 0.67 | CYP2A6 (0.38) | CYP2A6ALOX12 | |
| SCHEMBL13172092 | 0.67 | LMNA (0.38) | CYP2A6ALOX12ALDH1A1CYP3A4HSD17B10 |
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-6265620-B1 | REACTING OLEFINIC COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING METAL OF GROUP 8 TO 10 AND TRIVALENT ORANIC PHOSPHORUS COMPOUND TO PRODUCE ALDEHYDE | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-24 | — | — | US | disclosed |