Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.77 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.74 |
| ▸ | RAB9A | P51151 | 8/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | GRM5 | P41594 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.58 |
| ▸ | NT5E | P21589 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL27892807 | 0.87 | RAB9A (0.71) | ALDH1A1L3MBTL1RAB9AGRM5NPC1 | |
| SCHEMBL14758512 | 0.87 | RAB9A (0.71) | ALDH1A1L3MBTL1RAB9AKDM4ENPC1 | |
| SCHEMBL30354967 | 0.87 | PTGS1 (0.67) | ALDH1A1L3MBTL1RAB9AGRM5NPC1 | |
| SCHEMBL8554918 | 0.87 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1RAB9AKDM4ENPC1 | |
| SCHEMBL26758744 | 0.86 | ALDH1A1 (0.70) | ALDH1A1L3MBTL1RAB9AKDM4EGRM5 | |
| SCHEMBL3529609 | 0.86 | KDM4E (0.72) | ALDH1A1RAB9AKDM4ENPC1POLB | |
| SCHEMBL29151264 | 0.83 | RAB9A (0.65) | ALDH1A1L3MBTL1RAB9AKDM4EGRM5 | |
| SCHEMBL30354766 | 0.83 | RAB9A (0.65) | ALDH1A1L3MBTL1RAB9AKDM4EGRM5 | |
| SCHEMBL21709858 | 0.82 | KDM4E (0.82) | ALDH1A1L3MBTL1RAB9AKDM4ENPC1 | |
| SCHEMBL30216783 | 0.82 | KDM4E (0.82) | ALDH1A1L3MBTL1RAB9AKDM4ENPC1 |
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-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | claimed |
| EP-0815108-A1 | CYCLIC UREA HIV PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |