Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9965993 | 0.85 | KMT2A (0.46) | HSD11B1OPRD1SIGMAR1 | |
| SCHEMBL9963261 | 0.75 | CYP2D6 (0.34) | CYP2D6HSD11B1HRH3KCNH2OPRM1 | |
| SCHEMBL9963267 | 0.70 | CYP2D6 (0.44) | CYP2D6HRH3KCNH2KDM1ASMN1; SMN2 | |
| SCHEMBL10339511 | 0.70 | ACHE (0.48) | SIGMAR1KDM1ASMN1; SMN2 | |
| SCHEMBL12836464 | 0.69 | SSTR5 (0.45) | HSD11B1KCNH2SMN1; SMN2 | |
| SCHEMBL29964739 | 0.69 | SIGMAR1 (0.61) | HRH3SIGMAR1 | |
| SCHEMBL9963309 | 0.69 | SIGMAR1 (0.61) | HRH3SIGMAR1 | |
| SCHEMBL9963264 | 0.69 | KCNH2 (0.56) | CYP2D6HSD11B1HRH3KCNH2OPRM1 | |
| SCHEMBL9963313 | 0.67 | HRH3 (0.52) | CYP2D6HSD11B1HRH3KCNH2SIGMAR1 | |
| SCHEMBL9963252 | 0.65 | SLC6A9 (0.67) | KCNH2OPRM1OPRL1 |
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 | CYP2D6 1147/4885HSD11B1 432/4885HRH3 250/4885 |
“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.