Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 10/20 | 0.44 |
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL14959891 | 1.00 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL7910977 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL7910978 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL7910974 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL7910979 | 0.90 | ESR2 (0.42) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL12918542 | 0.84 | ESR2 (0.57) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL1405569 | 0.82 | ESR2 (0.50) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL10607267 | 0.82 | ESR2 (0.46) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL28710893 | 0.80 | ESR2 (0.69) | ESR2ESR1CYP2C9CYP3A4SLC18A3 | |
| SCHEMBL18666373 | 0.80 | ESR2 (0.44) | ESR2ESR1CYP2C9CYP3A4SLC18A3 |
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-2594270-A2 | The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) | BIP Patents (DE) | 2013-05-22 | — | — | EP | disclosed |