Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9933336 | 1.00 | KDM5A (0.34) | KDM5ACHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9934829 | 0.74 | CHRM2 (0.40) | — | |
| SCHEMBL9934831 | 0.74 | CHRM2 (0.40) | — | |
| SCHEMBL9933338 | 0.73 | KDM5A (0.36) | KDM5ACHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9933335 | 0.73 | KDM5A (0.36) | KDM5ACHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9934123 | 0.72 | KDM5A (0.54) | KDM5A | |
| SCHEMBL9934126 | 0.72 | KDM5A (0.54) | KDM5A | |
| SCHEMBL9933655 | 0.72 | KCNH2 (0.44) | KDM5A | |
| SCHEMBL9933657 | 0.72 | KCNH2 (0.44) | KDM5A | |
| SCHEMBL9963066 | 0.72 | SLC6A2 (0.32) | — |
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 2967/4885CHRNA4 48/4885CHRNB2 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.