Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 2/20 | 0.56 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6013496 | 0.91 | AKR1C2 (0.49) | AKR1C2PTGS2PTGS1ALDH1A1GAA | |
| SCHEMBL998208 | 0.90 | AKR1C2 (0.46) | AKR1C2PTGS2PTGS1ALDH1A1GAA | |
| SCHEMBL9017474 | 0.85 | ALDH1A1 (0.43) | AKR1C2PTPN5ALDH1A1GAAMAPT | |
| SCHEMBL5496301 | 0.82 | AKR1C2 (0.46) | AKR1C2ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL5499426 | 0.82 | AKR1C2 (0.48) | AKR1C2PTGS2PTGS1ALDH1A1GAA | |
| SCHEMBL7755896 | 0.81 | AKR1C2 (0.43) | AKR1C2ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL11466556 | 0.81 | MAPT (0.45) | AKR1C2ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL5154201 | 0.81 | POLB (0.41) | AKR1C2PTPN5GAAMAPTPOLB | |
| SCHEMBL2007216 | 0.80 | AKR1C2 (0.44) | AKR1C2ALDH1A1GAAMAPTKDM4E | |
| SCHEMBL4691290 | 0.80 | PTGS1 (0.44) | AKR1C2PTGS2PTGS1MAPTPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0746544-A1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMACEUTICALS INC. (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995022524-A1 | NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS | MERRELL PHARMACEUTICALS INC. (US) | 1995-08-24 | — | — | WO | disclosed |