Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6987115 | 0.85 | LMNA (0.33) | CYP3A4ALDH1A1LMNACYP1A2TDP1 | |
| SCHEMBL10952238 | 0.82 | RAB9A (0.46) | CYP3A4CYP19A1ALDH1A1CYP1A2 | |
| Bromide SCHEMBL6282386 | 0.81 | RAB9A (0.45) | CYP3A4CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL10922195 | 0.78 | CYP19A1 (0.47) | CYP3A4CYP3A5CYP19A1KCNA5LMNA | |
| Bromide SCHEMBL10923256 | 0.77 | CYP19A1 (0.46) | CYP3A4CYP3A5CYP19A1KCNA5LMNA | |
| SCHEMBL10956220 | 0.73 | ALDH1A1 (0.49) | CYP3A4CYP19A1KCNA5ALDH1A1LMNA | |
| Bromide SCHEMBL8081391 | 0.72 | ALDH1A1 (0.48) | CYP3A4CYP19A1KCNA5ALDH1A1LMNA | |
| SCHEMBL6987746 | 0.72 | TBXAS1 (0.37) | CYP19A1LMNA | |
| SCHEMBL1016319 | 0.71 | CHRNB2 (0.47) | CYP19A1LMNATDP1 | |
| SCHEMBL10955517 | 0.70 | CYP3A4 (0.46) | CYP3A4CYP19A1ALDH1A1LMNACYP1A2 |
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-1333827-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-08-13 | — | — | EP | disclosed |
| EP-1328522-A2 | ESTROGEN RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002032377-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |
| WO-2002032373-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2002-04-25 | — | — | WO | disclosed |