Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 4/20 | 0.32 |
| ▸ | MAOB | P27338 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966070 | 0.90 | HSP90AA1 (0.36) | HSP90AA1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL6961323 | 0.88 | PDE4B (0.35) | HSP90AA1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL6974133 | 0.86 | CACNA1C (0.36) | HSP90AA1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL6971992 | 0.85 | HSP90AA1 (0.34) | HSP90AA1CYP2D6CYP2C9CYP2C19RECQL | |
| SCHEMBL7084551 | 0.84 | SLC6A9 (0.33) | — | |
| SCHEMBL6960607 | 0.84 | ALOX12 (0.36) | CYP2C9CYP2C19MEN1KMT2AKDM4E | |
| SCHEMBL7085331 | 0.84 | HSP90AA1 (0.39) | HSP90AA1CACNA1CMEN1KMT2AKDM4E | |
| SCHEMBL6961650 | 0.83 | ALDH1A1 (0.31) | ALDH1A1POLB | |
| SCHEMBL7079832 | 0.81 | HSP90AA1 (0.43) | HSP90AA1MEN1KMT2AMAOAMAOB | |
| SCHEMBL7084668 | 0.78 | HSP90AA1 (0.38) | HSP90AA1CYP2D6CYP2C9CYP2C19RECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |