Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.58 |
| ▸ | GRK2 | P25098 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5777169 | 1.00 | ALB (0.58) | ALBGRK2CASP6CASP8CTDSP1 | |
| SCHEMBL5778584 | 0.91 | ALB (0.60) | ALBGRK2CASP6CASP8CTDSP1 | |
| SCHEMBL5774563 | 0.83 | ALB (0.69) | ALBALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL5776470 | 0.81 | ALB (0.57) | ALBALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL9518151 | 0.77 | GRK2 (0.50) | GRK2CASP6CASP8CTDSP1TDP1 | |
| SCHEMBL9518146 | 0.77 | GRK2 (0.50) | GRK2CASP6CASP8CTDSP1TDP1 | |
| SCHEMBL9518140 | 0.77 | GRK2 (0.50) | GRK2CASP6CASP8CTDSP1TDP1 | |
| SCHEMBL9264563 | 0.77 | ALB (0.71) | ALBL3MBTL1ALDH1A1KDM4EMAPT | |
| SCHEMBL9264552 | 0.77 | ALB (0.71) | ALBL3MBTL1ALDH1A1KDM4EMAPT | |
| SCHEMBL5775071 | 0.76 | ALB (0.60) | ALBALDH1A1KDM4EMAPTSMN1; SMN2 |
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 2 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-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |