Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.79 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | TP53 | P04637 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.61 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.61 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 1/20 | 0.61 |
| ▸ | GBA1 | P04062 | 1/20 | 0.61 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | PRKCG | P05129 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL23671979 | 0.88 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL21496962 | 0.88 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL6947496 | 0.87 | ESR1 (0.79) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| Iodide SCHEMBL30559876 | 0.87 | ESR1 (1.00) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL9452012 | 0.85 | ESR1 (0.84) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL4752565 | 0.84 | ESR1 (0.82) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL4752564 | 0.84 | ESR1 (0.82) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL10796202 | 0.84 | CYP19A1 (0.74) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL7654138 | 0.84 | CYP19A1 (0.74) | ESR1CYP19A1CYP3A4ESR2MAPT | |
| SCHEMBL11268363 | 0.84 | CYP19A1 (0.74) | ESR1CYP19A1CYP3A4ESR2MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754036-A4 | PERMANENTLY IONIC DERIVATIVES OF STEROID HORMONES AND THEIR ANTAGONISTS | PHARMOS CORP (US) | 2003-03-19 | — | — | EP | disclosed |
| US-5650425-A | ANTICARCINOGENIC, ANTAGONIST, ANTITUMOR AGENTS AND ANTIINFLAMMATORY AGENTS | PHARMOS CORPORATION (US) | 1997-07-22 | — | — | US | disclosed |
| EP-0754036-A1 | PERMANENTLY IONIC DERIVATIVES OF STEROID HORMONES AND THEIR ANTAGONISTS | PHARMOS CORPORATION (US) | 1997-01-22 | — | — | EP | disclosed |
| WO-1995026720-A1 | PERMANENTLY IONIC DERIVATIVES OF STEROID HORMONES AND THEIR ANTAGONISTS | PHARMOS CORPORATION (US) | 1995-10-12 | — | — | WO | disclosed |