Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 12/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 5/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL289748 | 0.99 | CYP2A6 (0.47) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL1679708 | 0.90 | CYP3A4 (0.54) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL289268 | 0.77 | KDM4E (0.46) | LMNAMAPTHDAC1KDM4E | |
| SCHEMBL851867 | 0.77 | SMN1; SMN2 (0.51) | LMNAMAPTKDM4E | |
| SCHEMBL289321 | 0.74 | CYP3A4 (0.62) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL289879 | 0.74 | CYP3A4 (0.62) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL29828863 | 0.74 | CYP3A4 (0.58) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL6513272 | 0.74 | CYP2A6 (0.67) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| Hydrochloric Acid SCHEMBL289747 | 0.73 | CYP3A4 (0.61) | CYP2A6CYP2C19CYP3A4CYP2C9CYP2E1 | |
| SCHEMBL288142 | 0.73 | KDM4E (0.54) | LMNAMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427447-A2 | SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION | Pike Pharma GmbH (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128163-A2 | SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION | PIKE PHARMA GMBH (CH) | 2010-11-11 | — | — | WO | disclosed |