Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.58 |
| ▸ | PDE2A | O00408 | 2/20 | 0.53 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CCR5 | P51681 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL23409072 | 0.83 | TSHR (0.53) | POLBCYP2C9CYP2C19TSHRALDH1A1 | |
| SCHEMBL2540114 | 0.79 | HTT (0.90) | HTTPOLBCYP2C9CYP2C19MAPK14 | |
| SCHEMBL12424605 | 0.79 | ALDH1A1 (0.56) | POLBALDH1A1LMNAHSD11B1 | |
| SCHEMBL24486493 | 0.79 | ALDH1A1 (0.56) | POLBALDH1A1LMNAHSD11B1 | |
| SCHEMBL21926835 | 0.78 | POLB (0.73) | HTTPOLBTSHRALDH1A1KMT2A | |
| SCHEMBL2535573 | 0.78 | HTT (0.88) | HTTPOLBCYP2C9CYP2C19MAPK14 | |
| SCHEMBL17502718 | 0.78 | HTT (0.62) | HTTPOLBCYP2C9CYP2C19MAPK14 | |
| SCHEMBL17502656 | 0.78 | HTT (0.62) | HTTPOLBCYP2C9CYP2C19MAPK14 | |
| SCHEMBL19766699 | 0.76 | HTT (0.90) | HTTPOLBCYP2C9CYP2C19MAPK14 | |
| SCHEMBL11714770 | 0.76 | HTT (0.90) | HTTPOLBCYP2C9CYP2C19MAPK14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9345708-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-05-24 | — | — | US | disclosed |
| US-8829007-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-09 | — | — | US | disclosed |