Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | VEGFA | P15692 | 2/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | 0.76 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL3033135 | 0.73 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL2393895 | 0.71 | CYP3A4 (0.52) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL3099321 | 0.71 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL2884021 | 0.71 | KCNH2 (0.48) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL3031457 | 0.70 | CYP3A4 (0.46) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL3022872 | 0.70 | CYP3A4 (0.46) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL2883149 | 0.70 | KCNH2 (0.50) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| Bromide SCHEMBL4556525 | 0.70 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL2881365 | 0.70 | KCNH2 (0.47) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 |
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 |