Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | NMT1 | P30419 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835650 | 0.82 | SIGMAR1 (0.40) | CHRNB4CHRNA3CHRNB2CHRNA4CHRM2 | |
| SCHEMBL9963160 | 0.78 | OPRM1 (0.39) | CHRNB4CHRNA3CHRNB2CHRNA4HRH3 | |
| SCHEMBL20099488 | 0.75 | CHRNB4 (0.35) | CHRNB4CHRNA3CHRNB2CHRNA4LTA4H | |
| SCHEMBL9963162 | 0.65 | CHRNB4 (0.41) | CHRNB4CHRNA3CHRNB2CHRNA4HRH3 | |
| SCHEMBL31316641 | 0.65 | HRH3 (0.38) | HRH3CHRM2 | |
| SCHEMBL16551541 | 0.65 | HTR6 (0.57) | HTR6CHRM2HTR2B | |
| SCHEMBL2737377 | 0.64 | PDE9A (0.44) | HRH3CHRM2DRD3 | |
| SCHEMBL2737376 | 0.63 | KDM5A (0.48) | HRH3CHRM2OPRL1 | |
| SCHEMBL22520411 | 0.62 | PTPN11 (0.47) | CHRNB2CHRNA4HRH3P2RX7HTR2B | |
| SCHEMBL27452968 | 0.62 | PTPN11 (0.47) | CHRNB2CHRNA4HRH3P2RX7HTR2B |
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 | CHRNB4 47/4885CHRNA3 13/4885CHRNB2 43/4885 |
“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.