Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 14/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7084823 | 0.93 | S1PR3 (0.39) | S1PR3SYKGRM5ENPP2MEN1 | |
| SCHEMBL6968357 | 0.92 | S1PR3 (0.37) | S1PR3SYKKDM4EALDH1A1LMNA | |
| SCHEMBL7084640 | 0.92 | S1PR3 (0.39) | S1PR3SYKGRM5ENPP2KDM4E | |
| SCHEMBL7084180 | 0.91 | S1PR3 (0.39) | S1PR3ENPP2LMNA | |
| SCHEMBL7084491 | 0.90 | CYP1A2 (0.40) | SYKMEN1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7078972 | 0.89 | SLC16A3 (0.35) | S1PR3GRM5MEN1CYP1A2CYP2C9 | |
| SCHEMBL7082232 | 0.87 | S1PR3 (0.36) | S1PR3ENPP2 | |
| SCHEMBL6961563 | 0.87 | S1PR3 (0.37) | S1PR3GRM5 | |
| SCHEMBL6973222 | 0.86 | S1PR3 (0.41) | S1PR3ALDH1A1 | |
| SCHEMBL7081153 | 0.86 | MAPT (0.39) | GRM5MEN1CYP1A2CYP2C9CYP2C19 |
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 |