Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14845174 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL5780720 | 0.77 | KDM4E (0.37) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL11221088 | 0.75 | TSHR (0.59) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL14845123 | 0.74 | LMNA (0.43) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL30599793 | 0.72 | ELANE (0.41) | ALDH1A1KDM4EKMT2AHSD17B10L3MBTL1 | |
| SCHEMBL22506623 | 0.72 | ELANE (0.41) | ALDH1A1KDM4EKMT2AHSD17B10L3MBTL1 | |
| SCHEMBL1244238 | 0.71 | ADORA2A (0.38) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL26204710 | 0.71 | ELANE (0.59) | ALDH1A1KDM4ELMNAKMT2AHPGD | |
| SCHEMBL17193027 | 0.70 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNATSHRBLM | |
| SCHEMBL11152249 | 0.70 | KDM4E (0.40) | ALDH1A1KDM4ELMNATSHRBLM |
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 |