Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Estramustine Phosphate. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 1.00 |
| ▸ | PTPN11 | Q06124 | 2/20 | 1.00 |
| ▸ | INPPL1 | O15357 | 1/20 | 1.00 |
| ▸ | PTPN1 | P18031 | 1/20 | 1.00 |
| ▸ | DRD1 | P21728 | 1/20 | 1.00 |
| ▸ | PTPN6 | P29350 | 1/20 | 1.00 |
| ▸ | KDR | P35968 | 1/20 | 1.00 |
| ▸ | RECQL | P46063 | 2/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 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 | |
|---|---|---|---|---|
| Estramustine Phosphate SCHEMBL13545664 | 1.00 | ESR1 (1.00) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine Phosphate SCHEMBL29379408 | 1.00 | ESR1 (1.00) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine Phosphate SCHEMBL234749 | 1.00 | ESR1 (1.00) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine Phosphate SCHEMBL19436 | 0.93 | ESR1 (0.86) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| SCHEMBL18775356 | 0.89 | ESR1 (0.79) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine SCHEMBL3625800 | 0.88 | RECQL (0.93) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine SCHEMBL36761 | 0.88 | RECQL (0.93) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine SCHEMBL8342744 | 0.88 | RECQL (0.93) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| Estramustine SCHEMBL22129748 | 0.88 | RECQL (0.93) | ESR1ADORA3PTPN11INPPL1PTPN1 | |
| SCHEMBL13545743 | 0.88 | ESR1 (0.78) | ESR1ADORA3PTPN11INPPL1PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |