Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973925 | 0.87 | PDE4A (0.37) | LMNACYP2C9CYP2C19MAPTRECQL | |
| SCHEMBL6966771 | 0.87 | HSP90AA1 (0.39) | IRAK4HSP90AA1LMNACYP2C9CYP2C19 | |
| SCHEMBL7078618 | 0.86 | CFTR (0.42) | LMNACFTRCYP1A2MAPTCYP3A4 | |
| SCHEMBL7083140 | 0.86 | CYP2C9 (0.39) | IRAK4HSP90AA1LMNACFTRCYP2C9 | |
| SCHEMBL6972739 | 0.85 | RXFP1 (0.37) | LMNAMAPTALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL8800825 | 0.85 | IRAK4 (0.36) | IRAK4HSP90AA1LMNACFTRCYP2C9 | |
| SCHEMBL6963980 | 0.84 | SLC6A9 (0.35) | LMNACYP2C9CYP2C19CYP1A2MAPT | |
| SCHEMBL7078897 | 0.84 | TP53 (0.38) | LMNAMAPTALDH1A1HPGDMAPK1 | |
| SCHEMBL6960619 | 0.83 | MEN1 (0.37) | CYP2C9CYP2C19CYP1A2MAPTALDH1A1 | |
| SCHEMBL6964051 | 0.83 | IRAK4 (0.35) | IRAK4HSP90AA1LMNACFTRCYP2C9 |
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 3 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 |