Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | AOC1 | P19801 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL1579389 | 0.79 | HSP90AA1 (0.38) | KDM4EALDH1A1SMN1; SMN2HSP90AA1ATM | |
| SCHEMBL6278027 | 0.78 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6319129 | 0.78 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6673370 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2PCSK9 | |
| SCHEMBL8351769 | 0.75 | HSP90AA1 (0.38) | KDM4EALDH1A1SMN1; SMN2HSP90AA1 | |
| SCHEMBL16619262 | 0.75 | HSP90AA1 (0.38) | KDM4EALDH1A1SMN1; SMN2HSP90AA1ATM | |
| SCHEMBL8230366 | 0.74 | KCNH2 (0.47) | ALDH1A1 | |
| SCHEMBL4016590 | 0.71 | — | — | |
| SCHEMBL2710346 | 0.71 | — | — | |
| SCHEMBL266933 | 0.71 | — | — |
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 |