Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11824198 | 0.77 | CYP2A6 (0.40) | ALDH1A1CYP2A6MAPTLMNAHRH4 | |
| SCHEMBL11820380 | 0.75 | MKNK1 (0.35) | GABRG2GABRB3GABRA5GABRA1GABRA3 | |
| SCHEMBL11820624 | 0.73 | FAAH (0.40) | L3MBTL1LMNA | |
| SCHEMBL11816652 | 0.73 | GABRG2 (0.36) | ALDH1A1HPGDGABRG2GABRB3GABRA5 | |
| SCHEMBL2170888 | 0.71 | CYP2A6 (0.47) | CYP1A2ALDH1A1HPGDHIF1AHSD17B10 | |
| SCHEMBL11822572 | 0.71 | KDR (0.44) | — | |
| SCHEMBL11822511 | 0.71 | GABRG2 (0.36) | CYP1A2ALDH1A1CYP2D6GABRG2GABRB3 | |
| SCHEMBL11818894 | 0.70 | TSHR (0.40) | L3MBTL1MAPTLMNAHRH4 | |
| Hydrochloric Acid SCHEMBL9433849 | 0.70 | CYP2A6 (0.45) | CYP1A2ALDH1A1HPGDHIF1AHSD17B10 | |
| SCHEMBL13316869 | 0.68 | HRH4 (0.42) | ALDH1A1LMNAHRH4 |
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-3961062-A | Pharmaceutical composition containing 1-(imidazole-1-yl)-isoquinolines and method of treating hyperlipemia | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-01 | — | — | US | disclosed |