Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | PARP1 | P09874 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | RRM1 | P23921 | 1/20 | 0.61 |
| ▸ | RRM2B | Q7LG56 | 1/20 | 0.61 |
| ▸ | PHGDH | O43175 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL15688657 | 0.93 | SCD (0.69) | SCDMAPTALDH1A1MEN1CYP1A2 | |
| SCHEMBL1270375 | 0.87 | SCD (0.89) | SCDMAPTALDH1A1MEN1HTT | |
| SCHEMBL26673963 | 0.86 | SCD (0.74) | SCDMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL2754070 | 0.85 | ADORA3 (0.74) | SCDMAPTALDH1A1MEN1CYP1A2 | |
| SCHEMBL2754003 | 0.85 | SCD (0.69) | SCDMAPTALDH1A1MEN1CYP1A2 | |
| SCHEMBL2753571 | 0.82 | ALDH1A1 (0.85) | SCDMAPTALDH1A1MEN1CYP1A2 | |
| SCHEMBL10966343 | 0.82 | HDAC3 (0.65) | MAPTALDH1A1MEN1HTTKMT2A | |
| SCHEMBL16562127 | 0.82 | SCD (1.00) | SCDMAPTALDH1A1PARP1LMNA | |
| SCHEMBL23674562 | 0.81 | SCD (0.84) | SCDMAPTALDH1A1MEN1HTT | |
| SCHEMBL5774803 | 0.81 | MEN1 (1.00) | SCDMAPTALDH1A1MEN1CYP1A2 |
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 |