Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17986583 | 1.00 | MAPT (0.37) | MAPTKDM4ENPC1USP2ALDH1A1 | |
| SCHEMBL17986534 | 1.00 | MAPT (0.37) | MAPTKDM4ENPC1USP2ALDH1A1 | |
| SCHEMBL18210791 | 0.92 | HDAC1 (0.38) | MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL16619092 | 0.92 | HDAC1 (0.38) | MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL16629708 | 0.92 | HDAC1 (0.38) | MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL17986557 | 0.92 | HDAC1 (0.38) | MAPTKDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL16619101 | 0.91 | ADRB3 (0.35) | GPR119CYP3A4CYP3A5SLC6A2SLC6A4 | |
| SCHEMBL18017422 | 0.91 | ADRB3 (0.35) | GPR119CYP3A4CYP3A5SLC6A2SLC6A4 | |
| SCHEMBL9932786 | 0.91 | ADRB3 (0.35) | GPR119CYP3A4CYP3A5SLC6A2SLC6A4 | |
| SCHEMBL9932785 | 0.91 | ADRB3 (0.35) | GPR119CYP3A4CYP3A5SLC6A2SLC6A4 |
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 |