Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.50 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.34 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.34 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.34 |
| ▸ | BID | P55957 | 4/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.33 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.33 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30102447 | 0.77 | LIPG (0.46) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| SCHEMBL21765894 | 0.74 | GABRA1 (0.36) | CYP3A4CYP2D6CYP2C9ALOX5PTGS2 | |
| Hydrochloric Acid SCHEMBL7176130 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7178593 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7177087 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7171152 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7175801 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7181337 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| Hydrochloric Acid SCHEMBL7181600 | 0.71 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9LIPGALOX5 | |
| SCHEMBL18245197 | 0.71 | GABRA1 (0.47) | CYP3A4CYP2D6CYP2C9LIPGALOX5 |
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-3954997-A | MITICIDES, INSECTICIDES | THE UPJOHN COMPANY (US) | 1976-05-04 | — | — | US | disclosed |