Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | TSHR | P16473 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9962994 | 1.00 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL9934375 | 0.83 | CYP3A4 (0.42) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL9962992 | 0.79 | CYP3A4 (0.47) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL9962982 | 0.79 | CYP3A4 (0.47) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL21399728 | 0.76 | CYP3A4 (0.64) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL5494991 | 0.72 | CYP3A4 (0.53) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL19692703 | 0.72 | CYP3A4 (0.54) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL7305160 | 0.72 | ALDH1A1 (0.60) | CYP3A4ALDH1A1TSHRMAPT | |
| SCHEMBL6557952 | 0.72 | CYP3A4 (0.61) | CYP3A4ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL2969506 | 0.71 | ALDH1A1 (0.70) | ALDH1A1TSHRMAPTLMNAGAA |
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 3 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-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | 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 (2 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-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 854/4885ALDH1A1 534/4885TSHR 331/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 854/4885ALDH1A1 534/4885TSHR 331/4885 |
“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.