Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21909724 | 0.82 | — | — | |
| SCHEMBL20771897 | 0.78 | TAAR1 (0.50) | CYP11B1CYP11B2NOS1HCAR2GRIN1 | |
| SCHEMBL1913009 | 0.78 | CYP11B1 (0.39) | CYP11B1CYP11B2NOS1HCAR2HSD17B10 | |
| SCHEMBL30824578 | 0.78 | TAAR1 (0.50) | CYP11B1CYP11B2NOS1HCAR2GRIN1 | |
| SCHEMBL15564026 | 0.78 | HCAR2 (0.41) | CYP11B1CYP11B2NOS1HCAR2ALDH1A1 | |
| SCHEMBL7666945 | 0.77 | — | — | |
| SCHEMBL19831950 | 0.75 | TDP1 (0.43) | CYP11B1CYP11B2NOS1ALDH1A1HPGD | |
| SCHEMBL15577862 | 0.75 | NOS1 (0.39) | CYP11B1CYP11B2NOS1HCAR2GRIN1 | |
| SCHEMBL17657689 | 0.75 | CYP2A6 (0.48) | CYP11B1CYP11B2NOS1HCAR2GRIN1 | |
| SCHEMBL13066610 | 0.75 | — | — |
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-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |