Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL28642739 | 0.81 | HTR2B (0.37) | HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL28631496 | 0.79 | CYP2C9 (0.41) | HTR2BCYP3A4TSHRKDM4E | |
| SCHEMBL9635920 | 0.78 | HTR2C (0.43) | HSD11B1MEN1KMT2AHTR2AHTR2C | |
| SCHEMBL10798707 | 0.76 | TSHR (0.42) | CYP3A4TSHR | |
| SCHEMBL9818153 | 0.75 | HTR2A (0.45) | MEN1KMT2AMAPTGAANPSR1 | |
| SCHEMBL23997598 | 0.74 | CYP3A4 (0.32) | MEN1KMT2AMAPTCYP3A4KDM4E | |
| SCHEMBL2945319 | 0.73 | HTR1A (0.36) | HTR2B | |
| SCHEMBL9668305 | 0.73 | TSHR (0.34) | TSHR | |
| SCHEMBL30317690 | 0.71 | AR (0.45) | ARADORA3HSD11B1AKR1C3MEN1 | |
| SCHEMBL12329918 | 0.71 | HTR2A (0.38) | MEN1KMT2AMAPTGAAHTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266980-B1 | PHARMACEUTICAL COMPOSITIONS, COMPRISING A 2,4-DIPHENYL-1,3-DIOXANE DERIVATIVE AND AN INHIBITOR OF THROMBOXANE A2 SYNTHESIS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-10-28 | — | — | EP | disclosed |
| EP-0288279-B1 | 1,3-DIOXANES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-09-09 | — | — | EP | disclosed |
| EP-0201352-B1 | ALKENE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-24 | — | — | EP | disclosed |
| EP-0246002-B1 | ALKENAMIDE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-11-27 | — | — | EP | disclosed |
| EP-0228887-B1 | DIOXANE HEXENOIC ACIDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-04-24 | — | — | EP | disclosed |
| EP-0266980-A2 | Pharmaceutical compositions, comprising a 2,4-diphenyl-1,3-dioxane derivative and an inhibitor of thromboxane A2 synthesis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-11 | — | — | EP | disclosed |