Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | VEGFA | P15692 | 2/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2511368 | 0.78 | KCNH2 (0.45) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL2509224 | 0.76 | KCNH2 (0.44) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL2511549 | 0.76 | KCNH2 (0.44) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL2512723 | 0.74 | KCNH2 (0.43) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL2512769 | 0.73 | KCNH2 (0.42) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL2512033 | 0.73 | KCNH2 (0.47) | KCNH2MAPTKMT2ACYP3A4VEGFA | |
| SCHEMBL845908 | 0.70 | BCL6 (0.33) | MAPTKMT2ACYP3A4CYP2C9CYP2D6 | |
| SCHEMBL30646976 | 0.68 | KCNH2 (0.36) | KCNH2 | |
| SCHEMBL27121824 | 0.68 | KCNH2 (0.36) | KCNH2 | |
| SCHEMBL26966792 | 0.68 | KCNH2 (0.36) | KCNH2 |
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-2552902-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | Merck Canada Inc. (CA) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011120133-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2011-10-06 | — | — | WO | disclosed |