Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | MPO | P05164 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.54 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.54 |
| ▸ | FEN1 | P39748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3311524 | 0.86 | ALDH1A1 (0.73) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL23182278 | 0.85 | KDM4E (0.76) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL3312291 | 0.84 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL32680072 | 0.84 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL13332558 | 0.81 | CYP1A2 (0.62) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL10833993 | 0.81 | MEN1 (0.65) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL3311829 | 0.80 | CYP1A2 (0.57) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL9523849 | 0.80 | CYP1A2 (1.00) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL7655652 | 0.78 | CYP1A2 (0.54) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8692730 | 0.78 | CYP1A2 (0.76) | CYP1A2ALDH1A1KDM4EHPGDSMN1; SMN2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200369626-A1 | COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF | WASHINGTON UNIVERSITY (US) | 2020-11-26 | — | — | 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-8633211-B2 | Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions | NOVARTIS AG (CH) | 2014-01-21 | — | — | US | disclosed |
| US-8399480-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-03-19 | — | — | 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-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-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. | 2011-02-03 | — | — | US | disclosed |
| US-20100113774-A1 | BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS | NOVARTIS AG (CH) | 2010-05-06 | — | — | US | disclosed |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2009-10-08 | — | — | US | disclosed |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2009-10-08 | — | — | US | disclosed |
| WO-2009124167-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | 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 (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-20110028481-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP1A2 152/4885ALDH1A1 369/4885KDM4E 1791/4885 |
| US-20120258963-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP1A2 152/4885ALDH1A1 369/4885KDM4E 1791/4885 |
| US-20090253705-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | CYP1A2 152/4885ALDH1A1 369/4885KDM4E 1791/4885 |
| US-20100113774-A1 | BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS | S1PR3, S1PR1, S1PR2 | CYP1A2 539/4885ALDH1A1 1798/4885KDM4E 3052/4885 |
| US-20200369626-A1 | COMPOSITIONS OF SPHINGOSINE-1-PHOSPHATE RECEPTOR 2 (S1PR2) BINDING AGENTS AND USES THEREOF | S1PR2, S1PR1, S1PR3 | CYP1A2 4307/4885ALDH1A1 4592/4885KDM4E 4281/4885 |
“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.