Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ergocristine. 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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.85 |
| ▸ | MAPT | P10636 | 10/20 | 0.85 |
| ▸ | MEN1 | O00255 | 9/20 | 0.85 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.85 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.85 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.85 |
| ▸ | HPGD | P15428 | 5/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.85 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.85 |
| ▸ | THRB | P10828 | 2/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.74 |
| ▸ | USP2 | O75604 | 5/20 | 0.74 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.74 |
| ▸ | DRD2 | P14416 | 5/20 | 0.74 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.74 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.74 |
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 SCHEMBL42443 | 0.93 | CYP3A4 (0.85) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL455906 | 0.92 | CYP2C9 (1.00) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL4947691 | 0.92 | CYP2C9 (1.00) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL177877 | 0.92 | CYP2C9 (1.00) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL14029486 | 0.92 | CYP2C9 (1.00) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL30957132 | 0.92 | CYP2C9 (1.00) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL20136277 | 0.90 | CYP2C9 (0.96) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL11081603 | 0.90 | CYP2C9 (0.96) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL18208064 | 0.90 | CYP2C9 (0.96) | CYP2C9MAPTMEN1KMT2ACYP2C19 | |
| Ergocristine SCHEMBL29386896 | 0.87 | MAPT (0.89) | CYP2C9MAPTMEN1KMT2ACYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2935567-A2 | DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF | CNC - Centro de Neurociências E Biologia Molecular - Universidade de Coimbra (PT) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014097192-A2 | DIFFERENTIATED CELL POPULATION OF ENDOTHELIAL CELLS DERIVED FROM HUMAN PLURIPOTENT STEM CELLS, COMPOSITION, SYSTEM, KIT AND USES THEREOF | CNC - CENTRO DE NEUROCIÊNCIAS E BIOLOGIA MOLECULAR - UNIVERSIDADE DE COIMBRA (PT) | 2014-06-26 | — | — | WO | disclosed |