Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 4/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16182262 | 0.88 | IDH1 (0.48) | IDH1KCNA5KCNE1TP53LMNA | |
| SCHEMBL9934759 | 0.82 | KCNA5 (0.45) | KCNA5KCNE1LMNACYP3A4CYP2D6 | |
| SCHEMBL9933176 | 0.82 | KCNA5 (0.45) | KCNA5KCNE1LMNACYP3A4CYP2D6 | |
| SCHEMBL9933174 | 0.82 | KCNA5 (0.45) | KCNA5KCNE1LMNACYP3A4CYP2D6 | |
| SCHEMBL16384693 | 0.78 | KCNA5 (0.44) | IDH1KCNA5KCNE1HRH3TP53 | |
| SCHEMBL7700554 | 0.78 | TP53 (0.49) | IDH1KCNA5KCNE1HRH3TP53 | |
| SCHEMBL16230438 | 0.75 | KCNA5 (0.42) | IDH1KCNA5KCNE1HRH3TP53 | |
| SCHEMBL12125610 | 0.74 | IDH1 (0.44) | IDH1KCNA5KCNE1HRH3TP53 | |
| SCHEMBL9963444 | 0.74 | KCNA5 (0.50) | IDH1KCNA5KCNE1HRH3CYP2D6 | |
| SCHEMBL20851461 | 0.73 | TSHR (0.47) | KCNA5KCNE1TP53CYP3A4CYP2D6 |
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 4 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 |
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 | IDH1 4643/4885KCNA5 865/4885KCNE1 1207/4885 |
“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.