Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969719 | 0.90 | ALDH1A1 (0.35) | IRAK4CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL7081406 | 0.90 | IRAK4 (0.37) | IRAK4CYP2C9CYP2C19CYP1A2MAPT | |
| SCHEMBL6963992 | 0.88 | MAPT (0.37) | CYP2C9CYP2C19MAPTALDH1A1KMT2A | |
| SCHEMBL7083140 | 0.87 | CYP2C9 (0.39) | IRAK4CYP2C9CYP2C19CYP1A2MAPT | |
| SCHEMBL7087594 | 0.87 | CFTR (0.39) | CYP1A2MAPTCYP3A4ALDH1A1KMT2A | |
| SCHEMBL6961716 | 0.86 | MAPT (0.38) | IRAK4CYP2C9CYP2C19CYP1A2MAPT | |
| SCHEMBL6962639 | 0.86 | RXFP1 (0.37) | MAPTALDH1A1LMNASMN1; SMN2GAA | |
| SCHEMBL6958244 | 0.85 | TP53 (0.34) | KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL6969443 | 0.85 | DHODH (0.32) | — | |
| SCHEMBL6975076 | 0.85 | TOP2A (0.31) | CYP2C9CYP2C19CYP1A2ALDH1A1KMT2A |
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 |