Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.38 |
| ▸ | NOS3 | P29474 | 3/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | TKT | P29401 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL21278561 | 0.84 | CYP2A6 (0.41) | NOS1NOS3PRMT6EPHX2DYRK1A | |
| SCHEMBL13337772 | 0.83 | TDP1 (0.42) | NOS1NOS2TKTMAPTKDM4E | |
| SCHEMBL13771813 | 0.78 | PRMT6 (0.40) | NOS1NOS3PRMT6EPHX2DYRK1A | |
| SCHEMBL10061636 | 0.74 | CYP11B1 (0.43) | NOS1NOS3PRMT6EPHX2NOS2 | |
| SCHEMBL6630716 | 0.74 | TKT (0.54) | NOS1NOS2TKTCYP3A4 | |
| SCHEMBL22701655 | 0.73 | PRMT6 (0.37) | NOS1NOS3PRMT6EPHX2DYRK1A | |
| SCHEMBL1109779 | 0.73 | CA2 (0.52) | NOS1NOS3NOS2MAPTKDM4E | |
| SCHEMBL1750523 | 0.72 | KDM4E (0.39) | NOS1NOS3PRMT6EPHX2DYRK1A | |
| SCHEMBL18255645 | 0.72 | PRMT6 (0.39) | NOS1PRMT6EPHX2DYRK1ANOS2 | |
| SCHEMBL13279624 | 0.72 | NOS1 (0.43) | NOS1NOS3PRMT6EPHX2DYRK1A |
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-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |