Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.53 |
| ▸ | KLK7 | P49862 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 5/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9965929 | 0.85 | HDAC3 (0.58) | KDM4EKLK7CA1CA2CA7 | |
| SCHEMBL620146 | 0.82 | KDM4E (0.63) | KDM4EKLK7CA1CA2CA7 | |
| SCHEMBL9444279 | 0.81 | KDM4E (0.68) | KDM4EKLK7CA1CA2CA7 | |
| SCHEMBL1546525 | 0.80 | HDAC3 (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13005009 | 0.78 | KDM4E (0.60) | KDM4EKLK7CA1CA2CA7 | |
| SCHEMBL1547389 | 0.78 | HDAC3 (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9963317 | 0.76 | ALDH1A1 (0.55) | KDM4ECA1CA2CA7CA9 | |
| SCHEMBL1547351 | 0.76 | HDAC3 (0.78) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1547548 | 0.76 | HDAC3 (0.78) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2594720 | 0.75 | ALDH1A1 (0.59) | KDM4EKLK7CA1CA2CA7 |
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-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-06-21 | — | — | US | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | 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 | KDM4E 3804/4885KLK7 2327/4885CA1 4877/4885 |
“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.