Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.30 |
| ▸ | FEN1 | P39748 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8138898 | 0.83 | ALDH1A1 (0.39) | HSP90AA1CYP2D6ALDH1A1 | |
| SCHEMBL26100669 | 0.76 | GPR88 (0.38) | HSP90AA1RXRAGRIN1GRIN2B | |
| SCHEMBL27772313 | 0.75 | HSP90AA1 (0.38) | HSP90AA1RXRAGRIN1GRIN2B | |
| SCHEMBL28009485 | 0.75 | HSP90AA1 (0.38) | HSP90AA1RXRAGRIN1GRIN2B | |
| SCHEMBL27558822 | 0.75 | HSP90AA1 (0.43) | HSP90AA1RXRAGRIN1GRIN2BALOX5AP | |
| SCHEMBL9963203 | 0.72 | ALDH1A1 (0.41) | HSP90AA1RXRAGRIN1GRIN2BCYP2D6 | |
| SCHEMBL14967497 | 0.72 | LMNA (0.35) | ALDH1A1 | |
| SCHEMBL2168598 | 0.72 | — | — | |
| SCHEMBL29445955 | 0.72 | — | — | |
| SCHEMBL11196649 | 0.71 | HSP90AA1 (0.46) | HSP90AA1CYP2D6ALOX5APFEN1 |
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 | HSP90AA1 1102/4885RXRA 1380/4885GRIN1 1665/4885 |
“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.