Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 2/20 | 0.69 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | PPARG | P37231 | 1/20 | 0.55 |
| ▸ | PPARD | Q03181 | 1/20 | 0.55 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.53 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.52 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11130424 | 0.91 | QDPR (0.76) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL9325871 | 0.84 | PDE4A (0.59) | QDPRNR3C1ALDH1A1LMNAMAPT | |
| SCHEMBL10407705 | 0.83 | QDPR (0.66) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL8922858 | 0.83 | QDPR (0.50) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL14632138 | 0.83 | HTR2A (0.65) | QDPRCA2NR3C1TSHR | |
| SCHEMBL11694411 | 0.82 | QDPR (0.50) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL11875043 | 0.82 | QDPR (0.50) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL21287357 | 0.82 | QDPR (0.50) | QDPRCA2NR3C1TSHRALOX5 | |
| SCHEMBL14492330 | 0.81 | PDE4A (0.49) | QDPRNR3C1ALDH1A1LMNAMAPT | |
| SCHEMBL31545850 | 0.79 | QDPR (0.45) | QDPRCA2NR3C1TSHRPTPN7 |
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-5654483-A | REACTING ALKOXY-SUBSTITUTED CYCLOHEXANONE WITH DIPHENYLAMINE WHILE FORMING CYCLOHEXANONE FROM ALKOXY-SUBSTITUTED PHENOL IN PRESENCE OF SURFACE-SUPPORTED HYDROGEN TRANSFER CATALYST | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-08-05 | — | — | US | disclosed |