Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 2/20 | 0.37 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | CCL2 | P13500 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP6 | P55212 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL29791075 | 1.00 | EDNRA (0.37) | EDNRAEDNRBATMCYP2C9HTR2A | |
| SCHEMBL28793125 | 0.87 | HTR2A (0.34) | EDNRAEDNRBATMCYP2C9HTR2A | |
| SCHEMBL29791032 | 0.76 | TSHR (0.43) | CYP2D6TSHRMEN1KMT2APOLB | |
| SCHEMBL29433715 | 0.72 | HTR2A (0.38) | HTR2ACYP2D6BRD4CCL2MEN1 | |
| SCHEMBL4390027 | 0.72 | HTR2A (0.38) | HTR2ACYP2D6BRD4CCL2MEN1 | |
| SCHEMBL8797292 | 0.70 | HTR2A (0.43) | EDNRAEDNRBATMCYP2C9HTR2A | |
| SCHEMBL2006251 | 0.68 | HTR2A (0.42) | HTR2ACYP2D6BRD4CCL2MEN1 | |
| SCHEMBL292481 | 0.68 | BRD4 (0.38) | HTR2ACYP2D6BRD4CCL2MEN1 | |
| SCHEMBL292479 | 0.68 | HTR2A (0.38) | HTR2ACYP2D6BRD4CCL2MEN1 | |
| SCHEMBL16398711 | 0.68 | HTR2A (0.38) | HTR2ACYP2D6BRD4CCL2MEN1 |
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-2427444-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010129379-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |