Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CHTR1D
The experimentally established mechanism targets of Ergotamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 5/20 | 1.00 |
| ▸ | ADRA2B known ✓ | P18089 | 5/20 | 1.00 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 1.00 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 1.00 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 1.00 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 1.00 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 9/20 | 1.00 |
| ▸ | DRD2 | P14416 | 6/20 | 1.00 |
| ▸ | HTR2A | P28223 | 6/20 | 1.00 |
| ▸ | HTR2C | P28335 | 6/20 | 1.00 |
| ▸ | HTR6 | P50406 | 6/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 5/20 | 1.00 |
| ▸ | DRD3 | P35462 | 5/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 4/20 | 1.00 |
| ▸ | DRD1 | P21728 | 4/20 | 1.00 |
| ▸ | HTR2B | P41595 | 4/20 | 1.00 |
| ▸ | HTR1A | P08908 | 4/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 3/20 | 1.00 |
| ▸ | HTR1B | P28222 | 3/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Ergotamine SCHEMBL783018 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29420131 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22171508 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL18134607 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL1483 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL453882 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29567350 | 1.00 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL11086376 | 0.99 | CYP3A4 (0.99) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL28990226 | 0.99 | CYP3A4 (0.99) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22231343 | 0.99 | CYP3A4 (0.99) | CYP3A4DRD2HTR2AHTR2CHTR6 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160000926-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160000926-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2016-01-07 | — | — | US | disclosed |
| US-20160000926-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2016-01-07 | — | — | US | disclosed |
| US-20140171383-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | The Regents of the Univeristy of Colorado, a body corporate | 2014-06-19 | — | — | US | disclosed |
| US-20140171383-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | The Regents of the Univeristy of Colorado, a body corporate | 2014-06-19 | — | — | US | disclosed |
| US-20140171383-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | The Regents of the Univeristy of Colorado, a body corporate | 2014-06-19 | — | — | US | disclosed |
| US-20140100183-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2014-04-10 | — | — | US | disclosed |
| US-20120071432-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2012-03-22 | — | — | US | disclosed |
| US-20120071432-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2012-03-22 | — | — | US | disclosed |
| US-20120071432-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2012-03-22 | — | — | US | disclosed |
| US-20090209480-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-08-20 | — | — | US | disclosed |
| US-20090209480-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-08-20 | — | — | US | disclosed |
| US-20090209480-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2009-08-20 | — | — | US | disclosed |
| US-20090069267-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | THE REGENTS OF THE UNIVERSITY OF COLORADO | 2009-03-12 | — | — | 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 (6 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-20090209480-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | INA, BDNF, PMP22 | ADRA2A 832/4885ADRA2B 2467/4885ADRA2C 1218/4885 |
| US-20140100183-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | INA, BDNF, PMP22 | ADRA2A 832/4885ADRA2B 2467/4885ADRA2C 1218/4885 |
| US-20090069267-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | INA, BDNF, PMP22 | ADRA2A 832/4885ADRA2B 2467/4885ADRA2C 1218/4885 |
| US-20120071432-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | PMP22, INA, SMN1; SMN2 | ADRA2A 1749/4885ADRA2B 3294/4885ADRA2C 2644/4885 |
| US-20140171383-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | INA, BDNF, PMP22 | ADRA2A 832/4885ADRA2B 2467/4885ADRA2C 1218/4885 |
| US-20160000926-A1 | CENTRAL ADMINISTRATION OF STABLE FORMULATIONS OF THERAPEUTIC AGENTS FOR CNS CONDITIONS | INA, BDNF, PMP22 | ADRA2A 832/4885ADRA2B 2467/4885ADRA2C 1218/4885 |
“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.