Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | MPO | P05164 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18463769 | 0.77 | BACE1 (0.48) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL15447473 | 0.77 | BACE1 (0.48) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL19843693 | 0.77 | BACE1 (0.39) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL18562577 | 0.75 | BACE1 (0.37) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL15448276 | 0.75 | BACE1 (0.37) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL3365551 | 0.72 | MGAM (0.58) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL24151479 | 0.70 | BACE1 (0.53) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL22479123 | 0.70 | BACE1 (0.48) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL18463879 | 0.70 | BACE1 (0.44) | BACE1CYP1A2CYP2C19HTTABCG2 | |
| SCHEMBL3364680 | 0.70 | ABCG2 (0.56) | BACE1CYP1A2HTTABCG2GAA |
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-9642889-B2 | Macrocyclic inhibitors of Flaviviridae viruses | GILEAD SCIENCES, INC. (US) | 2017-05-09 | — | — | US | disclosed |