Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.51 |
| ▸ | ESR1 | P03372 | 10/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.49 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7032426 | 1.00 | CYP19A1 (0.51) | CYP19A1ESR1ESR2CYP3A4TAAR1 | |
| SCHEMBL4620169 | 0.89 | GAA (0.51) | CYP19A1ESR1ESR2CYP3A4LTA4H | |
| SCHEMBL10893461 | 0.87 | ALDH1A1 (0.41) | CYP19A1ESR1ESR2CYP3A4LTA4H | |
| SCHEMBL11266486 | 0.87 | ALDH1A1 (0.44) | CYP19A1ESR1ESR2CYP3A4LTA4H | |
| SCHEMBL2710225 | 0.85 | CYP2D6 (0.55) | ESR1ESR2CYP3A4LTA4HCYP1A2 | |
| SCHEMBL8732737 | 0.85 | CYP2D6 (0.55) | ESR1ESR2CYP3A4LTA4HCYP1A2 | |
| SCHEMBL7929087 | 0.85 | CYP2D6 (0.55) | ESR1ESR2CYP3A4LTA4HCYP1A2 | |
| SCHEMBL11377599 | 0.82 | ALDH1A1 (0.46) | TAAR1SMN1; SMN2ALDH1A1NPSR1 | |
| SCHEMBL9661912 | 0.81 | ESR1 (0.47) | CYP19A1ESR1ESR2CYP3A4CYP1A2 | |
| SCHEMBL11482997 | 0.80 | KMT2A (0.44) | CYP1A2SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729363-A4 | BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS | IONIX CORP (US) | 1998-08-19 | — | — | EP | disclosed |
| EP-0729363-A1 | BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS | IONIX CORPORATION (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1996000090-A1 | BORON-CONTAINING HORMONE ANALOGS AND METHODS OF THEIR USE IN IMAGING OR KILLING CELLS HAVING HORMONE RECEPTORS | IONIX CORPORATION (US) | 1996-01-04 | — | — | WO | disclosed |