Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21278571 | 1.00 | ATM (0.37) | ATMAPLNRALDH1A1HTTCYP1A2 | |
| SCHEMBL18210856 | 0.92 | ATM (0.38) | ATMAPLNRALDH1A1HTTCYP1A2 | |
| SCHEMBL9962995 | 0.89 | ATM (0.39) | ATMAPLNRALDH1A1PRSS1PRSS2 | |
| SCHEMBL21278564 | 0.87 | CYP3A4 (0.33) | ATMAPLNRALDH1A1CYP3A4ITGB3 | |
| SCHEMBL21278207 | 0.86 | ATM (0.41) | ATMALDH1A1SMN1; SMN2LMNAPOLB | |
| SCHEMBL16630235 | 0.86 | ATM (0.41) | ATMALDH1A1SMN1; SMN2LMNAPOLB | |
| SCHEMBL11964097 | 0.85 | ATM (0.51) | ATMALDH1A1PRSS1PRSS2PRSS3 | |
| SCHEMBL12862460 | 0.85 | ATM (0.38) | ATMAPLNRALDH1A1HTTPRSS1 | |
| SCHEMBL21278407 | 0.85 | ATM (0.38) | ATMAPLNRALDH1A1HTTPRSS1 | |
| SCHEMBL9933464 | 0.76 | CYP3A4 (0.36) | ATMAPLNRALDH1A1CYP3A4ITGB3 |
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 2 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 |
| 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 | ATM 3843/4885APLNR 527/4885ALDH1A1 558/4885 |
“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.