Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | CASP3 | P42574 | 2/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 17/20 | 0.40 |
| ▸ | CNR2 | P34972 | 17/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19914814 | 0.97 | NPC1 (0.54) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10389123 | 0.84 | NPC1 (0.60) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10389095 | 0.82 | NPC1 (0.50) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10388172 | 0.82 | NPC1 (0.50) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10386721 | 0.82 | NPC1 (0.57) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10388173 | 0.82 | NPC1 (0.65) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10387824 | 0.81 | CNR1 (0.56) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10388169 | 0.81 | CNR1 (0.56) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10388149 | 0.81 | NPC1 (0.49) | NPC1RAB9ACASP3SENP8SENP7 | |
| SCHEMBL10389100 | 0.81 | NPC1 (0.49) | NPC1RAB9ACASP3SENP8SENP7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3148927-B1 | PREPARATION OF 2,6- AND 2,7-DISUBSTITUTED ANTHRAQUINONE DERIVATES | BASF SE (DE) | 2018-02-28 | — | — | EP | disclosed |