Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NOX4 | Q9NPH5 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973903 | 0.89 | GRIN1 (0.38) | ALDH1A1KMT2AMEN1PKMBRD4 | |
| SCHEMBL6967288 | 0.89 | GRIN1 (0.40) | KMT2ABRD4NOX4KDM4E | |
| SCHEMBL6960341 | 0.89 | S1PR3 (0.35) | ALDH1A1ALOX5APBRD4KDM4ELMNA | |
| SCHEMBL6973236 | 0.89 | ALDH1A1 (0.35) | ALDH1A1CYP1A2CYP2C19ALOX5APGABRA5 | |
| SCHEMBL7085318 | 0.86 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C19PTGDR2ALOX5AP | |
| SCHEMBL7085317 | 0.86 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C19PTGDR2ALOX5AP | |
| SCHEMBL6973761 | 0.86 | CFTR (0.44) | ALDH1A1CYP1A2KMT2AMEN1PKM | |
| SCHEMBL6964826 | 0.83 | VDR (0.36) | ALDH1A1CYP1A2CYP2C19ALOX5APKMT2A | |
| SCHEMBL6969032 | 0.82 | KDM4E (0.33) | ALDH1A1CYP1A2CYP2C19PKMKDM4E | |
| SCHEMBL6965115 | 0.81 | TLR7 (0.36) | ALDH1A1CYP1A2CYP2C19PTGDR2ALOX5AP |
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 3 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 |