Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | GNRHR | P30968 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6972280 | 0.94 | CFTR (0.40) | CFTRS1PR3CYP1A2CYP3A4NPC1 | |
| SCHEMBL7080059 | 0.93 | CFTR (0.38) | CFTRS1PR3CYP1A2CYP3A4NPC1 | |
| SCHEMBL7084592 | 0.93 | CFTR (0.41) | CFTRS1PR3CYP1A2CYP3A4NPC1 | |
| SCHEMBL6969925 | 0.91 | CFTR (0.41) | CFTRS1PR3CYP1A2CYP3A4NPC1 | |
| SCHEMBL7080025 | 0.89 | CYP1A2 (0.36) | CYP1A2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7078550 | 0.88 | S1PR3 (0.37) | S1PR3KMT2A | |
| SCHEMBL6973416 | 0.88 | MAPT (0.36) | NPC1RAB9AKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL6967391 | 0.88 | KMT2A (0.35) | MEN1KMT2AALDH1A1MAPTACHE | |
| SCHEMBL6975011 | 0.88 | CFTR (0.41) | CFTRS1PR3CYP1A2CYP3A4NPC1 | |
| SCHEMBL6971930 | 0.87 | CYP2C9 (0.36) | CFTRCYP1A2CYP3A4MEN1KMT2A |
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 |