Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 5/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5899118 | 0.93 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C19ADRB2TBXA2R | |
| SCHEMBL5899098 | 0.87 | GHSR (0.47) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL5899110 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL8200141 | 0.83 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL8243627 | 0.82 | GHSR (0.49) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL5899111 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C19GHSRMTNR1B | |
| SCHEMBL8199954 | 0.78 | GHSR (0.48) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL17821736 | 0.78 | MTNR1B (0.55) | CYP3A4CYP2D6CYP2C19MTNR1AMTNR1B | |
| SCHEMBL8236839 | 0.76 | GHSR (0.44) | CYP3A4CYP2D6CYP2C19GHSRMTNR1A | |
| SCHEMBL12394508 | 0.76 | MTNR1B (0.52) | GHSRMTNR1AMTNR1BLMNAMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7119103-B2 | β3-Adrenoreceptor agonists, agonist compositions and methods of using | MOLECULAR DESIGN INTERNATIONAL, INC. (US) | 2006-10-10 | — | — | US | disclosed |
| US-20050096347-A1 | Beta3-Adrenoreceptor agonists, agonist compositions and methods of using | MOLECULAR DESIGN INTERNATIONAL, INC. | 2005-05-05 | — | — | US | disclosed |
| US-6825213-B2 | NITROGEN COMPOUNDS SUCH AS 1-(4-AMINO-3,5-DIIODOBENZYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE, USED AS ADRENERGIC STIMULANTS FOR PROPHYLAXIS OF METABOLIC DISORDERS; OBESITY | MOLECULAR DESIGN INTERNATIONAL, INC. | 2004-11-30 | — | — | US | disclosed |
| US-20040019079-A1 | Beta3-Adrenoreceptor agonists, agonist compositions and methods of using | FELLER DENNIS R (US) | 2004-01-29 | — | — | US | disclosed |
| EP-1023269-A4 | BETA3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING | MOLECULAR DESIGN INT (US) | 2001-06-27 | — | — | EP | disclosed |
| EP-1023269-A1 | BETA3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING | MOLECULAR DESIGN INTERNATIONAL, INC. (US) | 2000-08-02 | — | — | EP | disclosed |
| WO-1999016752-A1 | β3-ADRENORECEPTOR AGONISTS, AGONIST COMPOSITIONS AND METHODS OF USING | MOLECULAR DESIGNS INTERNATIONAL, INC. (US) | 1999-04-08 | — | — | 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 (2 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-20050096347-A1 | Beta3-Adrenoreceptor agonists, agonist compositions and methods of using | ADRB3, ADRB1, ADRB2 | CYP3A4 994/4885CYP2D6 1738/4885CYP2C19 1391/4885 |
| US-20040019079-A1 | Beta3-Adrenoreceptor agonists, agonist compositions and methods of using | ADRB3, ADRB1, ADRB2 | CYP3A4 970/4885CYP2D6 1559/4885CYP2C19 1337/4885 |
“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.