Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL16629775 | 0.77 | KDM4E (0.39) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL17445192 | 0.77 | KDM4E (0.39) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL2710346 | 0.76 | — | — | |
| SCHEMBL266933 | 0.76 | — | — | |
| SCHEMBL4016590 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL16619952 | 0.75 | KDM4E (0.38) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL30478981 | 0.75 | HSP90AA1 (0.46) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL29051480 | 0.75 | HSP90AA1 (0.46) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM | |
| SCHEMBL27950587 | 0.75 | — | — | |
| SCHEMBL16619954 | 0.75 | KDM4E (0.39) | HSP90AA1KDM4EALDH1A1SMN1; SMN2ATM |
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 |