Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9963125 | 0.85 | ALDH1A1 (0.43) | ALDH1A1GAASMN1; SMN2SCN3AMAOB | |
| SCHEMBL24775484 | 0.85 | ALDH1A1 (0.43) | ALDH1A1GAASMN1; SMN2SCN3AMAOB | |
| SCHEMBL22871227 | 0.79 | CHRNB2 (0.53) | SCN3ARIPK1 | |
| SCHEMBL27962869 | 0.79 | SCN3A (0.48) | ALDH1A1GAASMN1; SMN2SCN3AMAOB | |
| SCHEMBL28317516 | 0.77 | GAA (0.44) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL636743 | 0.76 | MAOB (0.41) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL22005069 | 0.75 | MAOB (0.41) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL21725646 | 0.75 | RIPK1 (0.50) | MAOBMAOATSHRRIPK1LMNA | |
| SCHEMBL9286633 | 0.75 | MAOA (0.44) | ALDH1A1GAASMN1; SMN2MAOBMAOA | |
| SCHEMBL24757139 | 0.75 | CHRNB2 (0.47) | ALDH1A1RIPK1MEN1KMT2AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 534/4885GAA 2706/4885SMN1; SMN2 3655/4885 |
“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.