Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 3/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 4/20 | 0.35 |
| ▸ | DRD5 | P21918 | 4/20 | 0.35 |
| ▸ | DRD3 | P35462 | 4/20 | 0.35 |
| ▸ | ESR1 | P03372 | 4/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Betanaphthol SCHEMBL27282932 | 0.87 | CYP1A2 (0.49) | CYP1A2NQO1KIF11ESR1ESR2 | |
| SCHEMBL27466975 | 0.85 | KIF11 (0.46) | CYP1A2NQO1KIF11DRD3MEN1 | |
| Betanaphthol SCHEMBL27492835 | 0.85 | CYP1A2 (0.44) | CYP1A2NQO1KIF11ESR1ESR2 | |
| Betanaphthol SCHEMBL27451711 | 0.85 | HPRT1 (0.45) | CYP1A2NQO1KIF11ESR1ESR2 | |
| Betanaphthol SCHEMBL27426151 | 0.81 | PNMT (0.43) | CYP1A2NQO1KIF11ESR1ESR2 | |
| Betanaphthol SCHEMBL27782405 | 0.79 | ALDH1A1 (0.42) | CYP1A2NQO1KIF11ESR1ESR2 | |
| Isoquinoline SCHEMBL28753569 | 0.79 | NCOA3 (0.35) | CYP1A2NQO1KIF11ACHEALDH1A1 | |
| Hydroquinone SCHEMBL27817865 | 0.78 | HPRT1 (0.45) | CYP1A2NQO1KIF11ACHEALDH1A1 | |
| SCHEMBL27782604 | 0.77 | KDM4E (0.41) | CYP1A2NQO1ESR1ESR2ACHE | |
| SCHEMBL30819810 | 0.77 | ESR1 (0.43) | CYP1A2NQO1KIF11ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1113874-C | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 2003-07-09 | — | — | CN | disclosed |
| CN-1151735-A | Benzocycloalkylazolethione derivatives | SYNTEX INC (US) | 1997-06-11 | — | — | CN | disclosed |