Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PRKDC | P78527 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL662575 | 0.92 | PARP1 (0.60) | PARP1POLBKDM4EHTR2BPKM | |
| SCHEMBL18781846 | 0.86 | HTR2B (0.52) | PARP1POLBKDM4EHTR2BPKM | |
| SCHEMBL665072 | 0.84 | PARP1 (0.58) | PARP1HTR2BPKM | |
| SCHEMBL16349536 | 0.83 | PARP1 (0.59) | PARP1POLBKDM4EKCNH2HTR2B | |
| SCHEMBL17533943 | 0.83 | PARP1 (0.59) | PARP1POLBKDM4EKCNH2HTR2B | |
| SCHEMBL14218701 | 0.81 | POLB (0.62) | POLBKDM4EHTR2BPKMPRKDC | |
| SCHEMBL4148001 | 0.80 | POLB (0.56) | POLBKDM4EHTR2BPKM | |
| SCHEMBL14192110 | 0.80 | POLB (0.55) | POLBKDM4EHTR2BPKMPRKDC | |
| SCHEMBL739966 | 0.79 | POLB (0.58) | PARP1POLBKDM4EHTR2B | |
| SCHEMBL738959 | 0.79 | POLB (0.58) | PARP1POLBKDM4EHTR2B |
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 6 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-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 |
| 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 |
| EP-1463733-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2007-09-05 | — | — | EP | 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 | PARP1 1524/4885POLB 1198/4885KDM4E 3804/4885 |
“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.