Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | SHBG | P04278 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3846561 | 0.86 | STS (0.39) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL5682532 | 0.74 | SHBG (0.48) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL8518161 | 0.74 | SHBG (0.48) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL5682603 | 0.74 | SHBG (0.48) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL9255609 | 0.72 | SHBG (0.43) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL1898745 | 0.71 | CYP2C9 (0.37) | CYP3A4LMNACYP1A2 | |
| SCHEMBL29446097 | 0.67 | SHBG (0.70) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL11096655 | 0.67 | SHBG (0.70) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL30887214 | 0.67 | SHBG (0.70) | AKR1C3CYP3A4ESR1LMNASHBG | |
| SCHEMBL975788 | 0.67 | SHBG (0.70) | AKR1C3CYP3A4ESR1LMNASHBG |
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-2039702-A2 | Prodrugs erbeta-selective substances, method for their production and pharmaceutical compounds containing these compositions | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-03-25 | — | — | EP | disclosed |