Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5777728 | 0.87 | ALB (0.43) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5778584 | 0.82 | ALB (0.60) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5774563 | 0.82 | ALB (0.69) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5778978 | 0.81 | ALB (0.58) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5777169 | 0.81 | ALB (0.58) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5776486 | 0.77 | ALB (0.39) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL27588013 | 0.76 | ALB (0.66) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5776363 | 0.76 | ALB (0.66) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL5775071 | 0.75 | ALB (0.60) | ALBMAPTKDM4EMEN1ALDH1A1 | |
| Acetic Acid SCHEMBL9263859 | 0.75 | ALB (0.75) | ALBMAPTKDM4EMEN1ALDH1A1 |
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-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |