Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | YWHAG | P61981 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31565663 | 0.81 | NPC1 (0.96) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL1193397 | 0.81 | NPC1 (0.66) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL3654065 | 0.81 | NPC1 (0.96) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL28845372 | 0.79 | NPC1 (0.69) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL3083169 | 0.79 | NPC1 (1.00) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL605593 | 0.79 | NPC1 (1.00) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL17009548 | 0.77 | NPC1 (0.89) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL28086833 | 0.76 | NPC1 (0.70) | NPC1KEAP1MAPTKMT2AHSD17B10 | |
| SCHEMBL20576944 | 0.75 | ALDH1A1 (0.43) | NPC1MAPTKMT2AHSD17B10MEN1 | |
| SCHEMBL2492855 | 0.74 | NPC1 (0.68) | NPC1ALOX15KDM4EHTTALDH1A1 |
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-2389371-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | Neurotherapeutics Pharma, Inc. (US) | 2011-11-30 | — | — | EP | disclosed |
| WO-2010085352-A2 | BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2010-07-29 | — | — | WO | disclosed |