Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 20/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | TSHR | P16473 | 11/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9962982 | 0.85 | CYP3A4 (0.47) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL9962992 | 0.85 | CYP3A4 (0.47) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL9934375 | 0.83 | CYP3A4 (0.42) | CYP3A4MAPTALDH1A1TSHRMAPK1 | |
| SCHEMBL9934261 | 0.81 | CYP3A4 (0.43) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL9933783 | 0.81 | CYP3A4 (0.43) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL9933778 | 0.81 | CYP3A4 (0.43) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL9962983 | 0.81 | CYP3A4 (0.43) | CYP3A4MAPTALDH1A1TSHRTP53 | |
| SCHEMBL11964097 | 0.72 | ATM (0.51) | ALDH1A1 | |
| SCHEMBL16188055 | 0.70 | ATM (0.46) | CYP3A4ALDH1A1TSHR | |
| SCHEMBL16619518 | 0.69 | NPC1 (0.38) | CYP3A4MAPTALDH1A1TSHRTP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8604038-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-12-10 | — | — | US | disclosed |
| 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 854/4885MAPT 2512/4885ALDH1A1 534/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 854/4885MAPT 2512/4885ALDH1A1 534/4885 |
“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.