Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 3/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SOAT1 | P35610 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9965988 | 0.88 | CHRM5 (0.60) | CHRM5CHRM1CHRM3POLBP2RX7 | |
| SCHEMBL18159189 | 0.74 | POLB (0.61) | POLBP2RX7ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL21214320 | 0.73 | DRD3 (0.54) | P2RX7SMN1; SMN2DRD4 | |
| SCHEMBL18159191 | 0.73 | POLB (0.60) | POLBP2RX7ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL19652200 | 0.73 | SIGMAR1 (0.34) | MMP1MMP9MMP13 | |
| SCHEMBL23384021 | 0.70 | OPRM1 (0.67) | POLBHTTALDH1A1MMP1MMP9 | |
| SCHEMBL20315428 | 0.68 | CYP3A4 (0.61) | ALDH1A1MMP1MMP9MMP13KMT2A | |
| SCHEMBL9428083 | 0.68 | P2RX7 (0.61) | CHRM5CHRM1CHRM3POLBP2RX7 | |
| SCHEMBL29071771 | 0.67 | NPSR1 (0.49) | POLBHTTALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3277267 | 0.67 | HRH3 (0.64) | POLBHTTALDH1A1L3MBTL1 |
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 | CHRM5 156/4885CHRM1 77/4885CHRM3 24/4885 |
“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.