Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 6/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16620104 | 1.00 | NPSR1 (0.36) | NPSR1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL18017432 | 1.00 | NPSR1 (0.36) | NPSR1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL21278208 | 1.00 | NPSR1 (0.36) | NPSR1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL18210810 | 0.92 | KDM4E (0.35) | SMN1; SMN2THRBCETPGAA | |
| SCHEMBL18017423 | 0.92 | KDM4E (0.35) | SMN1; SMN2THRBCETPGAA | |
| SCHEMBL18210805 | 0.92 | KDM4E (0.35) | SMN1; SMN2THRBCETPGAA | |
| SCHEMBL9933127 | 0.92 | KDM4E (0.35) | SMN1; SMN2THRBCETPGAA | |
| SCHEMBL9933123 | 0.92 | KDM4E (0.35) | SMN1; SMN2THRBCETPGAA | |
| SCHEMBL16619897 | 0.92 | HDAC1 (0.40) | NPSR1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL17986575 | 0.92 | HDAC1 (0.40) | NPSR1SMN1; SMN2HTTMEN1KMT2A |
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 |