Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.72 |
| ▸ | POLB | P06746 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | KDM1A | O60341 | 1/20 | 0.57 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.57 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | VEGFA | P15692 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5815688 | 0.87 | KDM4E (0.55) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL1770721 | 0.86 | VEGFA (0.69) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL11900867 | 0.85 | MPO (0.59) | ALDH1A1KDM4EPOLBKDM1AGPR119 | |
| SCHEMBL2843836 | 0.85 | ALDH1A1 (0.69) | ALDH1A1KDM4EPOLBGPR119CHRM2 | |
| SCHEMBL28864301 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL4680824 | 0.84 | KDM4E (0.57) | ALDH1A1KDM4EPOLBKDM1AKDM1B | |
| SCHEMBL376336 | 0.84 | ALDH1A1 (0.60) | ALDH1A1KDM4EPOLBLMNAKDM1A | |
| SCHEMBL17276773 | 0.84 | ALDH1A1 (0.72) | ALDH1A1KDM4EPOLBLMNAHTT | |
| SCHEMBL23434788 | 0.84 | VEGFA (0.53) | ALDH1A1KDM4EPOLBKDM1AKDM1B | |
| SCHEMBL17109170 | 0.84 | ALDH1A1 (0.58) | ALDH1A1KDM4EPOLBGPR119KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470021-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | 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 |
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 | ALDH1A1 534/4885KDM4E 3804/4885POLB 1198/4885 |
“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.