Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.49 |
| ▸ | NT5E | P21589 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
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 SCHEMBL289747 | 0.99 | CYP3A4 (0.61) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL289879 | 0.90 | CYP3A4 (0.62) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL1574577 | 0.89 | CYP3A4 (0.77) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL29783018 | 0.89 | CYP3A4 (0.77) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| Hydrochloric Acid SCHEMBL1679765 | 0.88 | CYP3A4 (0.75) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL2785654 | 0.87 | CYP3A4 (0.60) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL289784 | 0.84 | CDC7 (0.62) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| Hydrochloric Acid SCHEMBL289783 | 0.83 | CDC7 (0.61) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 | |
| SCHEMBL299363 | 0.79 | RAB9A (0.55) | KMT2AALDH1A1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL11387955 | 0.78 | CYP1A2 (0.73) | CYP3A4CYP2C19CYP1A2LMNACYP2C9 |
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 |