Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | JUN | P05412 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HBB | P68871 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5696904 | 0.77 | MAPT (0.46) | NPC1RAB9AMAPTHSP90AA1MAPK1 | |
| SCHEMBL27236304 | 0.77 | NFE2L2 (0.53) | NPC1RAB9AMAPTHSP90AA1MAPK1 | |
| SCHEMBL27293332 | 0.76 | JUN (0.45) | NPC1RAB9AMAPTHSP90AA1MAPK1 | |
| SCHEMBL525688 | 0.75 | ALDH1A1 (0.43) | MAPTMAPK1NFE2L2SMN1; SMN2CYP1A2 | |
| SCHEMBL14686343 | 0.74 | MAPT (0.50) | NPC1RAB9AMAPTHSP90AA1MAPK1 | |
| SCHEMBL27587411 | 0.73 | CYP2A6 (0.50) | NPC1RAB9AJUNNFE2L2SMN1; SMN2 | |
| SCHEMBL14686297 | 0.71 | PTGS2 (0.46) | MAPTHTTNFE2L2SMN1; SMN2ALOX5 | |
| SCHEMBL27587401 | 0.71 | HSD17B10 (0.48) | MAPK1NFE2L2CYP1A2ALOX5CYP3A4 | |
| SCHEMBL27605366 | 0.71 | KIF11 (0.46) | CYP1A2 | |
| SCHEMBL28823336 | 0.69 | SLC22A12 (0.38) | CYP1A2CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1865940-B1 | ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2013-02-13 | — | — | EP | claimed |
| CN-101180266-A | Alpha ketoamide compounds as cysteine protease inhibitors | APPLERA CORP (US) | 2008-05-14 | — | — | CN | claimed |
| CN-1512983-A | Compounds and compositions as cathepsins inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | claimed |
| CN-101180266-B | As the alpha ketoamide compounds of cystatin | Vero Bay (US) | 2015-11-25 | — | — | CN | disclosed |
| CN-101180266-A | Alpha ketoamide compounds as cysteine protease inhibitors | APPLERA CORP (US) | 2008-05-14 | — | — | CN | disclosed |
| CN-101068783-A | Processes and intermediates for preparing cysteine protease inhibitors | BAYER SCHERING PHARMA AG (DE) | 2007-11-07 | — | — | CN | disclosed |
| CN-1512983-A | Compounds and compositions as cathepsins inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |