Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6130741 | 0.74 | CYP2D6 (0.40) | CYP2D6CYP2C19CYP1A2ALDH1A1ALOX12 | |
| SCHEMBL6528884 | 0.72 | CYP2D6 (0.38) | CYP2D6CYP2C19CYP1A2ALDH1A1ALOX12 | |
| SCHEMBL4560646 | 0.71 | CYP2D6 (0.37) | CYP2D6CYP2C19CYP1A2ALDH1A1ALOX12 | |
| SCHEMBL2340404 | 0.69 | PRKCA (0.32) | — | |
| SCHEMBL6130758 | 0.69 | CYP2D6 (0.40) | CYP2D6CYP2C19CYP1A2ALDH1A1ALOX12 | |
| SCHEMBL31464896 | 0.69 | PRKCA (0.32) | — | |
| SCHEMBL4850421 | 0.69 | PRKCA (0.32) | — | |
| SCHEMBL5891133 | 0.69 | ALOX12 (0.35) | CYP2D6CYP2C19CYP1A2ALDH1A1ALOX12 | |
| SCHEMBL7971051 | 0.69 | OXTR (0.39) | — | |
| SCHEMBL236649 | 0.68 | OXTR (0.42) | TSHRPKMSMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0737068-A1 | 2,3-DIARYL-1-BENZOPYRANS FOR TREATING DERMATITIS | ZymoGenetics, Inc. (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995017891-A1 | 2,3-DIARYL-1-BENZOPYRANS FOR TREATING DERMATITIS | ZYMOGENETICS, INC. (US) | 1995-07-06 | — | — | WO | disclosed |