Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12862461 | 0.88 | GAA (0.37) | ATMGAAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL11964099 | 0.86 | ATM (0.44) | ATMGAAALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL16185906 | 0.85 | ATM (0.42) | ATMALDH1A1CTSL | |
| SCHEMBL11964097 | 0.84 | ATM (0.51) | ATMALDH1A1CTSL | |
| SCHEMBL16619518 | 0.82 | NPC1 (0.38) | ATMALDH1A1KMT2A | |
| SCHEMBL21278203 | 0.82 | NPC1 (0.38) | ATMALDH1A1KMT2A | |
| SCHEMBL1199438 | 0.81 | ALDH1A1 (0.35) | GAAALDH1A1MAPK1KMT2A | |
| SCHEMBL1199435 | 0.81 | ALDH1A1 (0.35) | GAAALDH1A1MAPK1KMT2A | |
| SCHEMBL9933464 | 0.79 | CYP3A4 (0.36) | ATMALDH1A1KMT2A | |
| SCHEMBL21278415 | 0.78 | CYP3A4 (0.35) | ATMALDH1A1KMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8748433-B2 | β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2014-06-10 | — | — | 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-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-8247415-B2 | Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2012-08-21 | — | — | 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 |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2009-10-08 | — | — | 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 (5 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 | ATM 3769/4885GAA 3104/4885ALDH1A1 720/4885 |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ATM 3922/4885GAA 2920/4885ALDH1A1 369/4885 |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ATM 3922/4885GAA 2920/4885ALDH1A1 369/4885 |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ATM 3922/4885GAA 2920/4885ALDH1A1 369/4885 |
| US-20120202819-A1 | COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT | ADRB2, ADRB3, ADRA2A | ATM 3699/4885GAA 3086/4885ALDH1A1 711/4885 |
“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.