Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.56 |
| ▸ | PLAU | P00749 | 3/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 10/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776928 | 0.93 | ALB (0.57) | ALBNR1H4SNCAKDM4EMAPT | |
| SCHEMBL5779901 | 0.86 | ALB (0.51) | ALBNR1H4SNCAKDM4EMAPT | |
| SCHEMBL5778188 | 0.85 | ALB (0.52) | ALBNR1H4SNCAKDM4EMAPT | |
| SCHEMBL5775504 | 0.80 | ALB (0.49) | ALBNR1H4SNCAKDM4EMAPT | |
| SCHEMBL5774563 | 0.78 | ALB (0.69) | ALBSNCAKDM4EMAPTMEN1 | |
| SCHEMBL27569880 | 0.77 | ALB (0.57) | ALBSNCAMAPTMEN1ALDH1A1 | |
| SCHEMBL5780106 | 0.77 | ALB (0.57) | ALBSNCAMAPTMEN1ALDH1A1 | |
| SCHEMBL5776363 | 0.75 | ALB (0.66) | ALBSNCAKDM4EMAPTMEN1 | |
| SCHEMBL27588013 | 0.75 | ALB (0.66) | ALBSNCAKDM4EMAPTMEN1 | |
| SCHEMBL5781021 | 0.74 | NR1H4 (0.41) | ALBNR1H4SNCAKDM4EMAPT |
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 |