Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.30 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL13690733 | 0.88 | CYP3A4 (0.43) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3155350 | 0.88 | CYP3A4 (0.41) | KCNH2CYP3A4CYP2D6CYP2C9SLC22A12 | |
| SCHEMBL13119805 | 0.86 | KCNH2 (0.48) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3159602 | 0.84 | CYP3A4 (0.49) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3151052 | 0.84 | CYP3A4 (0.55) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3145181 | 0.81 | CYP3A4 (0.43) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL30601611 | 0.81 | KCNH2 (0.45) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3151001 | 0.81 | KCNH2 (0.45) | KCNH2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3152053 | 0.80 | CYP3A4 (0.42) | KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3164134 | 0.79 | CYP3A4 (0.42) | KCNH2CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009117278-A2 | PROCESSES FOR PREPARING (AMINO-PYRAZOLOPYRIDINYL)METHOXY SUBSTITUTED BIARYL ETHERS | MERCK & CO., INC. (US) | 2009-09-24 | — | — | WO | disclosed |