Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 4/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NPY1R | P25929 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPY2R | P49146 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | BAD | Q92934 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 SCHEMBL27426151 | 0.91 | PNMT (0.43) | CYP1A2NQO1KIF11ALDH1A1HPGD | |
| Betanaphthol SCHEMBL27282932 | 0.87 | CYP1A2 (0.49) | CYP1A2NQO1KIF11ALDH1A1HPGD | |
| SCHEMBL27430162 | 0.85 | KIF11 (0.46) | CYP1A2NQO1KIF11HPGDMAPT | |
| Betanaphthol SCHEMBL27450332 | 0.85 | CYP1A2 (0.44) | CYP1A2NQO1KIF11ALDH1A1HPGD | |
| Betanaphthol SCHEMBL27451711 | 0.85 | HPRT1 (0.45) | CYP1A2NQO1KIF11ALDH1A1HPGD | |
| 1-Naphthol SCHEMBL27573059 | 0.83 | CYP1A2 (0.45) | CYP1A2NQO1KIF11ALDH1A1LMNA | |
| Betanaphthol SCHEMBL27782405 | 0.79 | ALDH1A1 (0.42) | CYP1A2NQO1KIF11ALDH1A1MAPT | |
| Isoquinoline SCHEMBL27770787 | 0.79 | NCOA3 (0.35) | NQO1KIF11SMN1; SMN2HTTKDM4E | |
| Hydroquinone SCHEMBL27817865 | 0.78 | HPRT1 (0.45) | CYP1A2NQO1KIF11ALDH1A1MAPT | |
| SCHEMBL27782604 | 0.77 | KDM4E (0.41) | CYP1A2NQO1ALDH1A1HPGDBCL2L1 |
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 |