Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 4/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL9933335 | 1.00 | KDM5A (0.36) | KDM5AHCRTR1HCRTR2CHRNB2CHRNB4 | |
| SCHEMBL2569890 | 0.84 | AOC3 (0.35) | HCRTR1HCRTR2AOC3ENPP2 | |
| SCHEMBL20969081 | 0.76 | ENPP2 (0.44) | AOC3ENPP2 | |
| SCHEMBL9934123 | 0.75 | KDM5A (0.54) | KDM5AENPP2 | |
| SCHEMBL9934126 | 0.75 | KDM5A (0.54) | KDM5AENPP2 | |
| SCHEMBL9933336 | 0.73 | KDM5A (0.34) | KDM5ACHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9933334 | 0.73 | KDM5A (0.34) | KDM5ACHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL9933718 | 0.72 | KDM5A (0.30) | KDM5A | |
| SCHEMBL9933720 | 0.72 | KDM5A (0.30) | KDM5A | |
| SCHEMBL9934831 | 0.71 | CHRM2 (0.40) | — |
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 | KDM5A 2967/4885HCRTR1 484/4885HCRTR2 388/4885 |
“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.