Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6456781 | 1.00 | TAAR1 (0.41) | TAAR1ESR2PAX8GRM2KDM1A | |
| SCHEMBL6456610 | 0.87 | ESR2 (0.37) | ESR2 | |
| SCHEMBL6456611 | 0.87 | ESR2 (0.37) | ESR2 | |
| SCHEMBL10091176 | 0.86 | TAAR1 (0.47) | TAAR1ESR2PAX8GRM2KDM1A | |
| SCHEMBL6463289 | 0.86 | ESR2 (0.40) | ESR2KDM1AMAOB | |
| SCHEMBL6463292 | 0.86 | ESR2 (0.40) | ESR2KDM1AMAOB | |
| SCHEMBL6456896 | 0.85 | FASN (0.38) | PAX8GRM2CYP3A4GRM5 | |
| SCHEMBL6456894 | 0.85 | FASN (0.38) | PAX8GRM2CYP3A4GRM5 | |
| SCHEMBL6455880 | 0.84 | HTR2A (0.39) | KDM1AHTR2C | |
| SCHEMBL6455875 | 0.84 | HTR2A (0.39) | KDM1AHTR2C |
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 |