Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.41 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | SCN4A | P35499 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10024929 | 0.87 | PSMB5 (0.40) | BACE1KCNH2HRH3RAB9AMAPT | |
| SCHEMBL23841257 | 0.85 | PIK3CD (0.38) | RAB9AMAPTNPC1TP53KDM4E | |
| SCHEMBL12190334 | 0.83 | CYP1A2 (0.44) | BACE1AAK1KCNH2HRH3RAB9A | |
| SCHEMBL12173608 | 0.82 | KIF11 (0.44) | BACE1KCNH2HRH3RAB9AMAPT | |
| SCHEMBL12436949 | 0.79 | CYP1A2 (0.52) | BACE1AAK1KDM4EPOLBCYP1A2 | |
| SCHEMBL10120019 | 0.79 | AAK1 (0.50) | BACE1AAK1RAB9AMAPTPAX8 | |
| SCHEMBL14072407 | 0.78 | NPC1 (0.38) | KCNH2HRH3RAB9AMAPTNPC1 | |
| SCHEMBL23502417 | 0.78 | KCNH2 (0.38) | BACE1KCNH2HRH3CYP1A2PSMB5 | |
| SCHEMBL14328084 | 0.76 | BRAF (0.38) | AAK1RAB9AMAPTPAX8NOD2 | |
| SCHEMBL888873 | 0.73 | AAK1 (0.42) | BACE1AAK1RAB9AMAPTPAX8 |
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 |
|---|---|---|---|---|---|---|---|
| US-9133170-B2 | Inhibitors of HCV NS5A | HOFFMANN-LA ROCHE INC. (US) | 2015-09-15 | — | — | US | disclosed |