Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL21278205 | 0.89 | NPC1 (0.34) | DPP4ALDH1A1PTPN11KDM4ECYP1A2 | |
| SCHEMBL16619389 | 0.89 | NPC1 (0.34) | DPP4ALDH1A1PTPN11KDM4ECYP1A2 | |
| SCHEMBL21278568 | 0.87 | MMP13 (0.31) | GAAALDH1A1KMT2AMAPTMMP13 | |
| SCHEMBL9963002 | 0.84 | CHRNB2 (0.40) | CHRNB2CHRNA4GAASMN1; SMN2DPP4 | |
| SCHEMBL21278410 | 0.83 | ADORA2B (0.35) | DPP4PTPN11 | |
| SCHEMBL9933464 | 0.82 | CYP3A4 (0.36) | SMN1; SMN2ALDH1A1KMT2APOLBPTPN11 | |
| SCHEMBL9963001 | 0.78 | CHRNB2 (0.41) | CHRNB2CHRNA4GAASMN1; SMN2ALDH1A1 | |
| SCHEMBL16177422 | 0.78 | MAPK1 (0.33) | — | |
| SCHEMBL18017384 | 0.73 | NPC1 (0.39) | DPP4ALDH1A1PTPN11ACACBMAPT | |
| SCHEMBL18017407 | 0.73 | MAPT (0.34) | GAADPP4ALDH1A1KMT2APOLB |
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-8604038-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-12-10 | — | — | US | disclosed |
| US-8354403-B2 | Pyrrolidine derived beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME, CORP. (US) | 2012-09-06 | — | — | 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 (2 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-20120225886-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CHRNB2 43/4885CHRNA4 48/4885GAA 2706/4885 |
| US-20120157432-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CHRNB2 43/4885CHRNA4 48/4885GAA 2706/4885 |
“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.