Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29451973 | 0.85 | KDM4E (0.43) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29452059 | 0.85 | KDM4E (0.43) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29452261 | 0.75 | ALDH1A1 (0.49) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL20444036 | 0.75 | KMT2A (0.34) | ALDH1A1KDM4EKMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL29451452 | 0.74 | MAPT (0.44) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29451818 | 0.74 | MAPT (0.44) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29451726 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29451356 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL29451803 | 0.74 | MAPT (0.44) | ALDH1A1KDM4EGLAHPGDMAPT | |
| SCHEMBL12460196 | 0.73 | ACHE (0.38) | ALDH1A1KDM4EGLAHPGDMAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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 |
| EP-2276756-B9 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2012010862-A3 | IMPROVED COMBUSTIBLE COMPOSITION | RECKITT BENCKISER SOUTH AFRICA (PTY) LIMITED (ZA) | 2012-05-10 | — | — | WO | disclosed |
| EP-2276756-B1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2011-11-30 | — | — | EP | 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 (3 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-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ALDH1A1 369/4885KDM4E 1791/4885GLA 3072/4885 |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ALDH1A1 369/4885KDM4E 1791/4885GLA 3072/4885 |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | ALDH1A1 369/4885KDM4E 1791/4885GLA 3072/4885 |
“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.