Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.30 |
| ▸ | JAK1 | P23458 | 2/20 | 0.30 |
| ▸ | TYK2 | P29597 | 2/20 | 0.30 |
| ▸ | JAK3 | P52333 | 2/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL9963202 | 1.00 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL1106522 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL22108984 | 0.80 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL20083791 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL1727253 | 0.76 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL11983398 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL31010484 | 0.68 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL762378 | 0.67 | — | — | |
| SCHEMBL9963196 | 0.67 | ALDH1A1 (0.43) | CYP3A4ALDH1A1SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL21412256 | 0.66 | — | — |
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-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | US | disclosed |
| US-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | 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-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 468/4885CYP2C9 1283/4885CYP2C19 970/4885 |
“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.