Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.34 |
| ▸ | VEGFA | P15692 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ARNT | P27540 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2885704 | 0.80 | CYP3A4 (0.40) | CYP3A4KCNH2EPAS1VEGFACYP2C9 | |
| SCHEMBL2881238 | 0.79 | CYP3A4 (0.37) | CYP3A4KCNH2EPAS1VEGFACYP2C9 | |
| SCHEMBL2878137 | 0.78 | KCNH2 (0.40) | CYP3A4KCNH2EPAS1VEGFACYP2C9 | |
| SCHEMBL2883932 | 0.76 | PTGS2 (0.39) | CYP3A4KCNH2HDAC8RORCRARG | |
| SCHEMBL13079320 | 0.76 | CNR1 (0.38) | CYP3A4KCNH2 | |
| SCHEMBL2885454 | 0.76 | CYP3A4 (0.36) | CYP3A4KCNH2EPAS1VEGFACYP2C9 | |
| SCHEMBL2883066 | 0.75 | PDE8B (0.45) | CYP3A4KCNH2 | |
| SCHEMBL2885434 | 0.74 | KMT2A (0.39) | RORC | |
| SCHEMBL13078696 | 0.74 | ALDH1A1 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19RORC | |
| SCHEMBL2885453 | 0.73 | CYP3A4 (0.36) | CYP3A4KCNH2CYP2C9CYP2C19RORC |
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-2121638-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076225-A2 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK & CO., INC. (US) | 2008-06-26 | — | — | WO | disclosed |