Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.58 |
| ▸ | HTR2C | P28335 | 7/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.58 |
| ▸ | DRD2 | P14416 | 5/20 | 0.58 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9963232 | 0.83 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2MMP1 | |
| SCHEMBL6102337 | 0.79 | HTR2A (0.71) | HTR2AHTR2CKCNH2DRD2MMP1 | |
| SCHEMBL5209665 | 0.76 | HTR2A (0.67) | HTR2AHTR2CKCNH2DRD2MMP1 | |
| SCHEMBL5217170 | 0.76 | MMP3 (0.50) | HTR2AHTR2CKCNH2DRD2RORC | |
| SCHEMBL5213238 | 0.75 | HTR2A (0.56) | HTR2AHTR2CKCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL5211487 | 0.75 | MMP3 (0.49) | HTR2AHTR2CKCNH2DRD2RORC | |
| SCHEMBL5209963 | 0.74 | HTR2A (1.00) | HTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL5214395 | 0.74 | HTR2A (0.78) | HTR2AHTR2CKCNH2DRD2SIGMAR1 | |
| SCHEMBL5216938 | 0.74 | HTR2A (0.55) | HTR2AHTR2CKCNH2DRD2MMP1 | |
| Hydrochloric Acid SCHEMBL5211483 | 0.73 | MMP3 (0.48) | HTR2AHTR2CKCNH2DRD2RORC |
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 2 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 |
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 | HTR2A 480/4885HTR2C 358/4885KCNH2 409/4885 |
“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.