Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 17/20 | 0.59 |
| ▸ | PLD1 | Q13393 | 3/20 | 0.49 |
| ▸ | PLD2 | O14939 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.47 |
| ▸ | SLC6A5 | Q9Y345 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9963429 | 0.86 | SLC6A9 (0.68) | SLC6A9PLD1PLD2OPRM1SLC6A5 | |
| SCHEMBL9963256 | 0.86 | SLC6A9 (0.51) | SLC6A9OPRM1SLC6A5KCNH2 | |
| SCHEMBL12836059 | 0.85 | SLC6A9 (0.58) | SLC6A9PLD1PLD2OPRM1SLC6A5 | |
| SCHEMBL9963252 | 0.84 | SLC6A9 (0.67) | SLC6A9OPRM1SLC6A5KCNH2 | |
| SCHEMBL5557035 | 0.80 | SLC6A9 (0.56) | SLC6A9PLD1PLD2OPRM1SLC6A5 | |
| SCHEMBL9965965 | 0.79 | SLC6A9 (0.45) | SLC6A9OPRM1SLC6A5KCNH2 | |
| SCHEMBL5557626 | 0.78 | SLC6A9 (0.53) | SLC6A9PLD1PLD2OPRM1SLC6A5 | |
| SCHEMBL5561900 | 0.76 | SLC6A9 (0.66) | SLC6A9OPRM1KCNH2 | |
| SCHEMBL1138261 | 0.74 | SLC6A9 (1.00) | SLC6A9OPRM1SLC6A5KCNH2 | |
| SCHEMBL5562585 | 0.74 | SLC6A9 (1.00) | SLC6A9OPRM1KCNH2 |
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 | SLC6A9 3427/4885PLD1 2087/4885PLD2 1680/4885 |
“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.