Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL2881365 | 0.93 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2883919 | 0.90 | RHEB (0.31) | — | |
| SCHEMBL2882436 | 0.88 | KCNH2 (0.40) | KCNH2CYP3A4CYP2C9CYP2C19PPARG | |
| SCHEMBL2878670 | 0.75 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2884021 | 0.74 | KCNH2 (0.48) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2883149 | 0.73 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| Bromide SCHEMBL4556525 | 0.73 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2881362 | 0.72 | GRM4 (0.31) | — | |
| SCHEMBL2885588 | 0.71 | DPP4 (0.37) | — | |
| SCHEMBL2878972 | 0.71 | NOS1 (0.39) | — |
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 |