Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 4/20 | 0.32 |
| ▸ | CACNA1D | Q01668 | 4/20 | 0.32 |
| ▸ | CACNA1S | Q13698 | 4/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6970789 | 0.90 | HSP90AA1 (0.36) | HSP90AA1CACNA1CCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6971934 | 0.90 | CACNA1C (0.35) | HSP90AA1CACNA1CCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7083806 | 0.88 | PDE4B (0.35) | HSP90AA1CYP2C9CYP2C19CYP2D6RECQL | |
| SCHEMBL6969928 | 0.87 | CYP1A2 (0.35) | HSP90AA1CYP2C9CYP2C19CYP2D6RECQL | |
| SCHEMBL7083150 | 0.86 | CACNA1C (0.38) | HSP90AA1CACNA1CCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6974934 | 0.86 | CYP19A1 (0.35) | CYP2C9CYP2C19CYP2D6RECQLSMN1; SMN2 | |
| SCHEMBL6970028 | 0.85 | HSP90AA1 (0.34) | HSP90AA1CACNA1CCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL7087608 | 0.84 | TP53 (0.35) | MAPTHPGDALDH1A1POLB | |
| SCHEMBL7081199 | 0.84 | SLC6A9 (0.33) | — | |
| SCHEMBL6975315 | 0.84 | HSP90AA1 (0.39) | HSP90AA1CACNA1CSMN1; SMN2PKMSLC5A1 |
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 |