Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10232028 | 0.87 | GAA (0.57) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL326339 | 0.83 | DRD2 (0.41) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL1143146 | 0.78 | METAP1 (0.47) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL12717984 | 0.77 | BRD4 (0.54) | GAAACHECYP3A4ALDH1A1KDM4E | |
| SCHEMBL28569831 | 0.73 | KDM4E (0.44) | METAP1GAAACHECYP19A1MAOB | |
| SCHEMBL4041676 | 0.73 | METAP1 (0.58) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL21335774 | 0.73 | GAA (0.36) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL30134456 | 0.73 | MPO (0.42) | METAP1CYP11B2DRD2DRD1DRD5 | |
| SCHEMBL9577946 | 0.73 | CYP19A1 (0.42) | METAP1GAAACHECYP19A1CYP11B1 | |
| SCHEMBL1478437 | 0.73 | MPO (0.42) | METAP1CYP11B2DRD2DRD1DRD5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2048126-A1 | Benzocycloheptane derivatives as selectively active oestrogens | Bayer Schering Pharma AG (DE) | 2009-04-15 | — | — | EP | disclosed |