Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CPB1 | P15086 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5034275 | 0.78 | CYP3A4 (0.44) | CYP19A1CYP3A4NR1H4HTTCPB1 | |
| SCHEMBL4966178 | 0.74 | CNR2 (0.60) | NR1H4CNR2CNR1HTTCPB1 | |
| SCHEMBL2878988 | 0.71 | CPB1 (0.43) | CYP3A4HTTCPB1LMNASMN1; SMN2 | |
| SCHEMBL2881334 | 0.70 | CPB1 (0.42) | CYP19A1CYP3A4NR1H4HTTCPB1 | |
| SCHEMBL23050841 | 0.70 | USP2 (0.49) | NR1H4CNR2CNR1LMNASMN1; SMN2 | |
| SCHEMBL6732007 | 0.68 | HTT (0.49) | CYP3A4CNR2CNR1HTTCPB1 | |
| SCHEMBL6727502 | 0.64 | LMNA (0.53) | CYP3A4NR1H4CNR2CNR1HTT | |
| SCHEMBL20518725 | 0.63 | NR1H4 (0.73) | NR1H4TDP1 | |
| SCHEMBL4961878 | 0.62 | HTT (0.50) | CYP3A4CYP2C9CYP2C19CNR2HTT | |
| SCHEMBL1336855 | 0.61 | TSHR (0.49) | CYP3A4CYP2C9CYP2C19HTTLMNA |
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-7402608-B2 | Compounds and methods for the treatment or prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2008-07-22 | — | — | US | disclosed |