Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.56 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12836464 | 0.89 | SSTR5 (0.45) | KCNH2SSTR5DGAT1HSD11B1 | |
| SCHEMBL9965895 | 0.86 | KCNH2 (0.58) | KCNH2SSTR5DGAT1HSD11B1OPRM1 | |
| SCHEMBL10153444 | 0.79 | SSTR5 (0.50) | KCNH2SSTR5DGAT1ROCK2 | |
| SCHEMBL7665691 | 0.77 | SSTR5 (0.52) | KCNH2SSTR5DGAT1 | |
| SCHEMBL14286618 | 0.73 | SSTR5 (0.52) | KCNH2SSTR5DGAT1 | |
| SCHEMBL9963263 | 0.72 | HSD11B1 (0.38) | KCNH2SSTR5HSD11B1OPRM1SIGMAR1 | |
| SCHEMBL14319818 | 0.71 | SSTR5 (0.54) | KCNH2SSTR5DGAT1 | |
| SCHEMBL9963261 | 0.70 | CYP2D6 (0.34) | KCNH2HSD11B1OPRM1SIGMAR1HRH3 | |
| SCHEMBL9963262 | 0.69 | CYP2D6 (0.44) | KCNH2HSD11B1OPRM1SIGMAR1HRH3 | |
| SCHEMBL14507936 | 0.68 | HRH3 (0.52) | KCNH2OPRM1HRH3CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | KCNH2 409/4885SSTR5 385/4885DGAT1 4038/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.