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 | 0.85 |
| ▸ | ADRA2B known ✓ | P18089 | 5/20 | 0.85 |
| ▸ | ADRA2C known ✓ | P18825 | 5/20 | 0.85 |
| ▸ | ADRA1D known ✓ | P25100 | 4/20 | 0.85 |
| ▸ | ADRA1A known ✓ | P35348 | 3/20 | 0.85 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.85 |
| ▸ | ADRA1B known ✓ | P35368 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.85 |
| ▸ | DRD2 | P14416 | 6/20 | 0.85 |
| ▸ | HTR2A | P28223 | 6/20 | 0.85 |
| ▸ | HTR2C | P28335 | 6/20 | 0.85 |
| ▸ | HTR6 | P50406 | 6/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.85 |
| ▸ | DRD3 | P35462 | 5/20 | 0.85 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.85 |
| ▸ | DRD1 | P21728 | 4/20 | 0.85 |
| ▸ | HTR2B | P41595 | 4/20 | 0.85 |
| ▸ | HTR1A | P08908 | 4/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.85 |
| ▸ | HTR1B | P28222 | 3/20 | 0.85 |
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 | |
|---|---|---|---|---|
| Ergocristine SCHEMBL15822285 | 0.93 | CYP2C9 (0.85) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL18134607 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29567350 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL453882 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL1483 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL783017 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL29420131 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL783018 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL22171508 | 0.92 | CYP3A4 (1.00) | CYP3A4DRD2HTR2AHTR2CHTR6 | |
| Ergotamine SCHEMBL11086376 | 0.92 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588099-B1 | CARBAMATES FOR USE IN TREATING RESTLESS LEGS SYNDROME | SK BIOPHARMACEUTICALS CO LTD (KR) | 2017-05-24 | — | — | EP | disclosed |
| US-8623913-B2 | Methods for treating restless legs syndrome | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2014-01-07 | — | — | US | disclosed |
| EP-2588099-A2 | METHODS OF TREATING RESTLESS LEGS SYNDROME | SK Biopharmaceuticals Co., Ltd. (KR) | 2013-05-08 | — | — | EP | disclosed |
| US-20120004301-A1 | METHODS FOR TREATING RESTLESS LEGS SYNDROME | SK HOLDINGS CO., LTD. (KR) | 2012-01-05 | — | — | US | disclosed |
| WO-2012002688-A2 | METHODS OF TREATING RESTLESS LEGS SYNDROME | SK BIOPHARMACEUTICALS CO., LTD. (KR) | 2012-01-05 | — | — | 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 (1 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-20120004301-A1 | METHODS FOR TREATING RESTLESS LEGS SYNDROME | HCRTR2, HCRTR1, CHAT | ADRA2A 1327/4885ADRA2B 1080/4885ADRA2C 1233/4885 |
“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.