Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 7/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.34 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3438082 | 0.67 | CHRM5 (0.44) | NPC1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL3202978 | 0.67 | MAPT (0.44) | NPC1ALDH1A1MAPK1MAPTKMT2A | |
| SCHEMBL3195782 | 0.67 | MAPT (0.44) | NPC1ALDH1A1MAPK1MAPTKMT2A | |
| SCHEMBL23224018 | 0.62 | MEN1 (0.32) | KMT2AMEN1GAAAPEX1CYP2C9 | |
| SCHEMBL23224050 | 0.61 | PSEN1 (0.39) | ALDH1A1MAPTKMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL9751241 | 0.58 | ALDH1A1 (0.43) | NPC1ALDH1A1MAPK1MAPTKMT2A | |
| SCHEMBL9751258 | 0.58 | ALDH1A1 (0.43) | NPC1ALDH1A1MAPK1MAPTKMT2A | |
| SCHEMBL28852941 | 0.58 | MAPT (0.52) | NPC1ALDH1A1MAPK1MAPTKMT2A | |
| SCHEMBL4558468 | 0.58 | KDM1A (0.48) | NPC1ALDH1A1MAPTKMT2APOLB | |
| SCHEMBL3198013 | 0.58 | MAPT (0.47) | NPC1ALDH1A1MAPK1MAPTKMT2A |
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-2054365-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | Uniban - Universidade Bandeirante De São Paulo (BR) | 2009-05-06 | — | — | EP | claimed |
| WO-2008003155-A2 | METHODS TO PREPARE PENTA-1,4-DIEN-3-ONES AND SUBSTITUTED CYCLOHEXANONES AND DERIVATIVES WITH ANTITUMORAL AND ANTIPARASITIC PROPERTIES, THE COMPOUNDS AND THEIR USES | UNIBAN - UNIVERSIDADE BANDEIRANTE DE SÃO PAULO - ACADEMIA PAULISTA ANCHIETA S/C LTDA (BR) | 2008-01-10 | — | — | WO | claimed |