Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17208869 | 0.97 | NPC1 (0.56) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL41511 | 0.87 | NPC1 (0.66) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL30021053 | 0.87 | NPC1 (0.66) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| Ammonia Solution, Strong SCHEMBL27784024 | 0.85 | NPC1 (0.63) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL6254969 | 0.85 | NPC1 (0.63) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL9423354 | 0.85 | CHEK1 (0.65) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL17208892 | 0.84 | NPC1 (0.47) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL17208870 | 0.83 | NPC1 (0.53) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL14432865 | 0.83 | NPC1 (0.51) | CHEK1MAPTNPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL17747111 | 0.82 | NPC1 (0.59) | CHEK1MAPTNPC1ALDH1A1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012001500-A1 | QUINONE RADICALS FOR ENRICHING SPECIFIC SPECIES OF CARBON NANOTUBES | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-01-05 | — | — | WO | disclosed |