Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MPO | P05164 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | TERT | O14746 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL18565488 | 0.79 | PSMB5 (0.35) | CYP1A2TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL11873901 | 0.77 | TDP1 (0.62) | BACE1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL22798793 | 0.77 | ALDH1A1 (0.42) | BACE1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL7068280 | 0.76 | TDP1 (0.55) | CYP1A2NQO2HTTTDP1PSMB5 | |
| SCHEMBL22798865 | 0.74 | BACE1 (0.37) | BACE1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL25323103 | 0.74 | BACE1 (0.46) | BACE1CYP1A2CYP2C19NQO2HTT | |
| SCHEMBL21129799 | 0.74 | BACE1 (0.55) | BACE1CYP1A2CYP2C19NQO2HTT | |
| SCHEMBL29911266 | 0.74 | BACE1 (0.46) | BACE1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL3614209 | 0.74 | BACE1 (0.46) | BACE1CYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL15448564 | 0.74 | BACE1 (0.46) | BACE1CYP1A2CYP2C19NQO2HTT |
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-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |