Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966537 | 0.91 | NPSR1 (0.36) | EPHX1CA2CA4MAOAMAOB | |
| SCHEMBL6965334 | 0.89 | PARP1 (0.30) | — | |
| SCHEMBL6968447 | 0.88 | CA2 (0.38) | EPHX1CA2CA4CYP1A2CYP3A4 | |
| SCHEMBL6971356 | 0.88 | TP53 (0.38) | MAOAMAOBNPSR1TYMSPOLB | |
| SCHEMBL7084970 | 0.87 | MAPT (0.37) | EPHX1CYP1A2CYP3A4GAACYP2C9 | |
| SCHEMBL6961492 | 0.86 | MAOA (0.36) | CA2CA4MAOAMAOBHDAC6 | |
| SCHEMBL6969795 | 0.84 | EPHX1 (0.37) | EPHX1CA2CA4MAOAMAOB | |
| SCHEMBL7079210 | 0.84 | LMNA (0.37) | GAACYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL6973797 | 0.83 | MAOA (0.38) | EPHX1CA2CA4MAOAMAOB | |
| SCHEMBL7087555 | 0.83 | GCGR (0.38) | EPHX1MAOAMAOBCYP1A2CYP3A4 |
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 |