Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CFTR | P13569 | 1/20 | 0.32 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3301894 | 0.73 | ADRA2C (0.31) | PTGS2ADRA2CHRH1HTR3APDE4D | |
| SCHEMBL27933440 | 0.72 | PTGS2 (0.43) | PTGS2PTGS1ESR1ESR2ALDH1A1 | |
| SCHEMBL27949026 | 0.70 | PTGS2 (0.42) | PTGS2PTGS1ESR1ESR2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8927340 | 0.67 | — | — | |
| SCHEMBL27933484 | 0.66 | CFTR (0.41) | PTGS2PTGS1ESR1ESR2ALDH1A1 | |
| SCHEMBL27883422 | 0.66 | ESR1 (0.34) | PTGS2PTGS1ESR1ESR2KMT2A | |
| SCHEMBL2594422 | 0.65 | ALDH1A1 (0.50) | ALDH1A1ADRA2CGPR3HTR2ABRD4 | |
| SCHEMBL1387795 | 0.65 | MAPT (0.39) | PTGS2ALDH1A1CYP1A2CYP3A4ADRA2C | |
| SCHEMBL27949017 | 0.65 | PTGS2 (0.38) | PTGS2PTGS1ESR1ESR2ALDH1A1 | |
| SCHEMBL8197843 | 0.64 | CFTR (0.52) | PTGS2PTGS1ESR1ESR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6057467-A | CYCLOPENTADIENE LIGANDS WITH GROUP IVB METALS | RESEARCH INSTITUTE OF PETROLEUM PROCESSING, SINOPEC (CN) | 2000-05-02 | — | — | US | disclosed |