Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11822572 | 0.83 | KDR (0.44) | KDRMAPK9MAPK10 | |
| SCHEMBL11818894 | 0.82 | TSHR (0.40) | MAPTLMNAHRH4 | |
| SCHEMBL11816596 | 0.77 | CYP1A2 (0.43) | CYP2A6MAPTALDH1A1LMNAHRH4 | |
| SCHEMBL11817340 | 0.73 | MAOA (0.41) | CYP2A6CYP2E1CYP3A4MAOAMAOB | |
| SCHEMBL9405397 | 0.70 | NPC1 (0.49) | CYP2A6CYP2E1CYP3A4MAOAMAOB | |
| SCHEMBL11814264 | 0.70 | CYP3A4 (0.52) | CYP3A4MAPTALDH1A1LMNA | |
| SCHEMBL11820380 | 0.70 | MKNK1 (0.35) | ATM | |
| SCHEMBL8498623 | 0.68 | CYP3A4 (0.50) | CYP2A6CYP2E1CYP3A4GRM5ALDH1A1 | |
| SCHEMBL2170888 | 0.68 | CYP2A6 (0.47) | CYP2A6MAPTALDH1A1LMNA | |
| SCHEMBL11816652 | 0.68 | GABRG2 (0.36) | MAPTATMALDH1A1LMNA |
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 |