Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4976973 | 0.76 | RPS6KB1 (0.44) | RPS6KB1PARP1 | |
| SCHEMBL474162 | 0.69 | KDM4E (0.45) | FGFR1FGFR2FGFR3RPS6KB1PARP1 | |
| SCHEMBL8720079 | 0.68 | HCAR2 (0.46) | CCNA2CDK2CCNA1DAOHCAR2 | |
| SCHEMBL1380696 | 0.68 | TSHR (0.55) | PARP1 | |
| SCHEMBL11503111 | 0.68 | KDM4E (0.44) | FGFR1FGFR2FGFR3PARP1 | |
| SCHEMBL3262898 | 0.68 | KDM4E (0.44) | FGFR1FGFR2FGFR3PARP1 | |
| SCHEMBL8526511 | 0.68 | TSHR (0.55) | PARP1 | |
| SCHEMBL16619753 | 0.68 | GPR84 (0.42) | BRD4CCNA2CDK2CCNA1CD38 | |
| SCHEMBL6277238 | 0.66 | NNMT (0.47) | RPS6KB1AURKA | |
| SCHEMBL3381004 | 0.65 | BCAT2 (0.42) | FGFR1FGFR2FGFR3RPS6KB1PARP1 |
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 4 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 | claimed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | claimed |
| 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 |