Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 4/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | ESRRB | O95718 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESRRG | P62508 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9966004 | 0.85 | MGLL (0.42) | MGLLKCNH2HSD11B1DRD2SIGMAR1 | |
| SCHEMBL13059859 | 0.78 | LIG1 (0.38) | MGLLDRD2SIGMAR1TACR1 | |
| SCHEMBL16182215 | 0.76 | TACR1 (0.41) | MGLLKCNH2TACR1 | |
| SCHEMBL2603274 | 0.73 | ESRRG (0.55) | HRH3KCNH2ESRRBESR1ESRRG | |
| SCHEMBL12213333 | 0.72 | TACR1 (0.38) | TACR1 | |
| SCHEMBL24754046 | 0.70 | HRH3 (0.35) | HRH3CYP2D6 | |
| SCHEMBL19122147 | 0.70 | HRH3 (0.35) | HRH3CYP2D6 | |
| SCHEMBL17125201 | 0.70 | CYP2D6 (0.33) | HRH3CYP2D6 | |
| SCHEMBL20411398 | 0.69 | MGLL (0.62) | MGLL | |
| SCHEMBL25004304 | 0.69 | HRH3 (0.44) | HRH3KCNH2ESRRBESR1ESRRG |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 | MGLL 4179/4885HRH3 250/4885KCNH2 409/4885 |
“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.