Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21499104 | 0.93 | GSK3B (0.53) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL19364775 | 0.87 | LMNA (0.51) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL19333994 | 0.86 | GSK3B (0.59) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL14917318 | 0.85 | GSK3B (0.45) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL14917319 | 0.85 | GSK3B (0.45) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL19186112 | 0.85 | GSK3B (0.54) | GSK3BALDH1A1CES2CES1LMNA | |
| 2-Picolinic Acid SCHEMBL28281361 | 0.78 | LMNA (0.67) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL8696894 | 0.78 | GSK3B (0.50) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL9658047 | 0.78 | GSK3B (0.50) | GSK3BALDH1A1CES2CES1LMNA | |
| SCHEMBL7277861 | 0.77 | GSK3B (0.58) | GSK3BALDH1A1CES2CES1LMNA |
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-9676802-B2 | Hepatitis C virus inhibitors | ENANTA PHARMACEUTICALS, INC. (US) | 2017-06-13 | — | — | US | disclosed |