Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 12/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 2/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25900344 | 0.90 | CYP1A2 (0.47) | CYP2D6AKR1B1CYP1A2POLBCYP3A4 | |
| SCHEMBL6637046 | 0.84 | PIK3CD (0.41) | MAPK14AKR1B1CYP1A2POLBCYP3A4 | |
| SCHEMBL9966028 | 0.84 | MAPK14 (0.51) | CYP2D6MAPK14AKR1B1CYP1A2POLB | |
| SCHEMBL11225066 | 0.83 | CYP1A2 (0.51) | MAPK14AKR1B1CYP1A2POLBCYP3A4 | |
| Hydrochloric Acid SCHEMBL6635931 | 0.83 | PIK3CD (0.40) | MAPK14AKR1B1CYP1A2POLBCYP3A4 | |
| SCHEMBL9963282 | 0.82 | OPRM1 (0.54) | CYP2D6TNKSTNKS2OPRM1OPRK1 | |
| SCHEMBL21626818 | 0.81 | OPRM1 (0.44) | MAPK14AKR1B1CYP1A2POLBCYP3A4 | |
| SCHEMBL29384453 | 0.80 | MAPK14 (0.53) | MAPK14CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL5975458 | 0.80 | MAPK14 (0.53) | MAPK14CYP1A2POLBCYP3A4CYP2C19 | |
| SCHEMBL12782405 | 0.80 | MAPK14 (0.50) | MAPK14AKR1B1CYP1A2POLBCYP3A4 |
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 | CYP2D6 1147/4885MAPK14 4121/4885AKR1B1 320/4885 |
“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.