Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | GCK | P35557 | 3/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20032117 | 0.81 | SMPD1 (0.36) | RAB9ASMN1; SMN2SMPD1CHRNA4S1PR1 | |
| SCHEMBL12835947 | 0.81 | SMN1; SMN2 (0.51) | RAB9ASMN1; SMN2SMPD1CHRNA4HCAR2 | |
| SCHEMBL9963197 | 0.81 | HCAR2 (0.52) | RAB9ASMN1; SMN2SMPD1CHRNA4S1PR1 | |
| SCHEMBL12667405 | 0.80 | SMPD1 (0.35) | RAB9ASMN1; SMN2SMPD1CHRNA4S1PR1 | |
| SCHEMBL9963198 | 0.79 | CHRNA4 (0.39) | RAB9ASMN1; SMN2SMPD1CHRNA4NPC1 | |
| SCHEMBL18739865 | 0.79 | SMPD1 (0.40) | RAB9ASMN1; SMN2SMPD1CHRNA4S1PR1 | |
| SCHEMBL23930612 | 0.73 | RAB9A (0.35) | RAB9ASMN1; SMN2SMPD1CHRNA4ALDH1A1 | |
| SCHEMBL26987244 | 0.72 | SMN1; SMN2 (0.56) | RAB9ASMN1; SMN2HCAR2ALDH1A1 | |
| SCHEMBL26685301 | 0.69 | CHRNA4 (0.45) | RAB9ASMN1; SMN2SMPD1CHRNA4HCAR2 | |
| SCHEMBL10200350 | 0.67 | TRPM8 (0.45) | RAB9ASMN1; SMN2NPC1ALDH1A1 |
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 | RAB9A 1162/4885SMN1; SMN2 3655/4885SMPD1 2302/4885 |
“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.