Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 12/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 8/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16619242 | 1.00 | ADRB3 (0.40) | ADRB3ADRB1PDE5AADRB2RXRA | |
| SCHEMBL17986554 | 0.90 | STS (0.36) | ADRB3ADRB2HSD17B2STSCETP | |
| SCHEMBL16619997 | 0.90 | STS (0.36) | HSD17B2STSCETP | |
| SCHEMBL21268162 | 0.90 | STS (0.36) | ADRB3ADRB2HSD17B2STSCETP | |
| SCHEMBL17986570 | 0.90 | STS (0.36) | HSD17B2STSCETP | |
| SCHEMBL16619599 | 0.90 | STS (0.36) | ADRB3ADRB2HSD17B2STSCETP | |
| SCHEMBL17986571 | 0.90 | STS (0.36) | HSD17B2STSCETP | |
| SCHEMBL21268160 | 0.90 | STS (0.36) | ADRB3ADRB2HSD17B2STSCETP | |
| SCHEMBL16619212 | 0.90 | CETP (0.37) | ADRB3ADRB2STSCETP | |
| SCHEMBL1509714 | 0.90 | CETP (0.37) | ADRB3ADRB2STSCETP |
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 |