Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.68 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.68 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.68 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | EDNRA | P25101 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL15478263 | 0.84 | CSNK1A1 (0.71) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL10714674 | 0.83 | CSNK1A1 (0.76) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL30965100 | 0.82 | CSNK1A1 (0.73) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL297622 | 0.82 | CSNK1A1 (0.73) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL11566235 | 0.81 | CSNK1A1 (0.71) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| Hydrochloric Acid SCHEMBL5854599 | 0.81 | CSNK1A1 (0.71) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL6825869 | 0.81 | CSNK1A1 (1.00) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL12892036 | 0.80 | CSNK1A1 (0.66) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| SCHEMBL8781273 | 0.80 | CSNK1A1 (0.66) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 | |
| Water SCHEMBL30473073 | 0.79 | CSNK1A1 (0.97) | CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2 |
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-8653260-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-02-18 | — | — | US | disclosed |
| US-8399480-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2012-10-11 | — | — | US | disclosed |
| US-8247415-B2 | Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2009-10-08 | — | — | 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 (3 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-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CSNK1A1 1793/4885TYRO3 1201/4885DYRK1B 3622/4885 |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CSNK1A1 1793/4885TYRO3 1201/4885DYRK1B 3622/4885 |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CSNK1A1 1793/4885TYRO3 1201/4885DYRK1B 3622/4885 |
“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.