Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 2/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6452696 | 1.00 | ESR2 (0.36) | ESR2KDM1AHRH3MAOACYP17A1 | |
| SCHEMBL6453779 | 0.89 | ESR2 (0.36) | ESR2KDM1ASLC6A3 | |
| SCHEMBL6453783 | 0.89 | ESR2 (0.36) | ESR2KDM1ASLC6A3 | |
| SCHEMBL2741540 | 0.88 | HTR2A (0.37) | ESR2KDM1AHRH3HTR2AHTR2C | |
| SCHEMBL6453881 | 0.88 | ESR2 (0.33) | ESR2KDM1ACYP11B2CYP11B1PTGS2 | |
| SCHEMBL6453887 | 0.88 | ESR2 (0.33) | ESR2KDM1ACYP11B2CYP11B1PTGS2 | |
| SCHEMBL14064159 | 0.87 | ESR2 (0.46) | ESR2KDM1AMAOACYP17A1CYP11B2 | |
| SCHEMBL6465199 | 0.87 | KDM1A (0.45) | KDM1ACYP17A1PTGS2 | |
| SCHEMBL6465196 | 0.87 | KDM1A (0.45) | KDM1ACYP17A1PTGS2 | |
| SCHEMBL6457509 | 0.87 | FASN (0.39) | KDM1AHRH3CYP3A4HTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |