Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5777367 | 0.90 | KDM4E (0.48) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL28748034 | 0.85 | KDM4E (0.37) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL5776756 | 0.84 | KDM4E (0.34) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL5814129 | 0.84 | ADORA2A (0.35) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL5777179 | 0.77 | ALDH1A1 (0.48) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL5776724 | 0.77 | — | — | |
| SCHEMBL5778123 | 0.73 | — | — | |
| SCHEMBL14845174 | 0.70 | ALDH1A1 (0.49) | KDM4EALDH1A1LMNATSHRBLM | |
| SCHEMBL5908741 | 0.68 | KDM4E (0.39) | KDM4EALDH1A1TSHRGAAMEN1 | |
| SCHEMBL5908450 | 0.67 | KDM4E (0.35) | KDM4EALDH1A1LMNAGAA |
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 |