Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 9/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IL6ST | P40189 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18210796 | 0.92 | IDH1 (0.35) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1199939 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1200578 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL1199941 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619316 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619318 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL16619321 | 0.84 | ALDH1A1 (0.39) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL18017398 | 0.83 | ALDH1A1 (0.33) | IDH1ALDH1A1GAAHTTNPC1 | |
| SCHEMBL18017404 | 0.75 | — | — | |
| SCHEMBL9962996 | 0.74 | AGTR2 (0.35) | IDH1IL6ST |
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-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| US-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | US | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | 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-20160235727-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | IDH1 4647/4885ALDH1A1 558/4885GAA 2424/4885 |
“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.