Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973955 | 0.95 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL6966597 | 0.91 | FKBP1A (0.35) | FKBP1AS1PR3TLR7LMNACHRNA7 | |
| SCHEMBL6970826 | 0.91 | GRIN1 (0.35) | FKBP1AS1PR3TLR7LMNACHRNA7 | |
| SCHEMBL6971258 | 0.91 | LMNA (0.40) | FKBP1AS1PR3TLR7LMNACHRNA7 | |
| SCHEMBL6975529 | 0.91 | LMNA (0.41) | ALDH1A1KDM4ETLR7LMNA | |
| SCHEMBL7078695 | 0.90 | CYP1A2 (0.36) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL6968648 | 0.90 | P2RX3 (0.33) | ALDH1A1KDM4EHPGDMEN1CASP1 | |
| SCHEMBL6973497 | 0.88 | ALDH1A1 (0.38) | ALDH1A1FKBP1AKDM4EHPGDTLR7 | |
| SCHEMBL6969763 | 0.88 | GRIN1 (0.35) | FKBP1AS1PR3TLR7LMNACHRNA7 | |
| SCHEMBL7082316 | 0.86 | TLR7 (0.36) | ALDH1A1TLR7LMNAGABRA1GABRA5 |
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 |