Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL9963162 | 0.81 | CHRNB4 (0.41) | KDM1ACHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL9910980 | 0.80 | SIGMAR1 (0.48) | OPRM1CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL12835652 | 0.80 | SIGMAR1 (0.48) | OPRM1CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL16551541 | 0.78 | HTR6 (0.57) | CHRM2CHRM4CHRM1 | |
| SCHEMBL9963159 | 0.78 | CHRNB4 (0.36) | KDM1ACHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL2225619 | 0.74 | F11 (0.46) | OPRM1F11CHRM2CHRM1CHRM3 | |
| SCHEMBL13836477 | 0.72 | F11 (0.46) | OPRM1F11ABCB1CHRM2CHRM1 | |
| SCHEMBL14518762 | 0.69 | KDM1A (0.52) | KDM1AHRH3 | |
| SCHEMBL2227245 | 0.69 | GPR119 (0.47) | F11 | |
| SCHEMBL9391610 | 0.69 | ESR1 (0.47) | CHRNB4CHRNA3CHRNB2CHRNA4ABCB1 |
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 | OPRM1 52/4885KDM1A 3335/4885F11 4569/4885 |
“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.