Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | TACR3 | P29371 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP26A1 | O43174 | 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 | |
|---|---|---|---|---|
| SCHEMBL11899482 | 1.00 | CYP3A4 (0.35) | CYP3A4ALDH1A1CTSSCTSKMEN1 | |
| SCHEMBL17986578 | 0.90 | CYP26A1 (0.33) | ALDH1A1CYP2C9CNR1CNR2CYP26A1 | |
| SCHEMBL9933942 | 0.84 | LMNA (0.32) | — | |
| SCHEMBL9933938 | 0.84 | LMNA (0.32) | — | |
| SCHEMBL908012 | 0.82 | ALDH1A1 (0.34) | CYP3A4ALDH1A1MEN1KMT2ACNR1 | |
| SCHEMBL908013 | 0.82 | ALDH1A1 (0.34) | CYP3A4ALDH1A1MEN1KMT2ACNR1 | |
| SCHEMBL11964097 | 0.82 | ATM (0.51) | ALDH1A1CTSSCTSKATM | |
| SCHEMBL21278329 | 0.75 | CTSK (0.47) | ALDH1A1CTSSCTSKATM | |
| SCHEMBL17994223 | 0.73 | AOC3 (0.43) | CYP3A4ALDH1A1MEN1KMT2ACYP2D6 | |
| SCHEMBL16619749 | 0.73 | POLB (0.31) | CYP3A4MEN1KMT2ACYP2D6CYP1A2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563123-B1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2018-04-25 | — | — | EP | disclosed |
| EP-2595483-B1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2017-03-22 | — | — | EP | disclosed |
| US-9186354-B2 | Pyrrolidine derived β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2015-11-17 | — | — | US | disclosed |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2014-10-23 | — | — | US | disclosed |
| US-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | US | disclosed |
| US-8653260-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-02-18 | — | — | US | disclosed |
| US-8399480-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-19 | — | — | US | disclosed |
| US-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2013-02-28 | — | — | US | disclosed |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2012-10-11 | — | — | US | disclosed |
| US-20120202819-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT | MERCK SHARP & DOHME CORPORATION (US) | 2012-08-09 | — | — | 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 (4 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-20130053403-A1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 468/4885ALDH1A1 720/4885CTSS 4544/4885 |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 321/4885ALDH1A1 369/4885CTSS 4138/4885 |
| US-20120202819-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT | ADRB2, ADRB3, ADRA2A | CYP3A4 894/4885ALDH1A1 711/4885CTSS 2347/4885 |
| US-20140315912-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP3A4 925/4885ALDH1A1 491/4885CTSS 3601/4885 |
“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.