Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6130741 | 0.80 | CYP2D6 (0.40) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL27646472 | 0.78 | CYP2D6 (0.36) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL6528884 | 0.77 | CYP2D6 (0.38) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL6130758 | 0.74 | CYP2D6 (0.40) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL27636983 | 0.73 | SIGMAR1 (0.40) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL18475190 | 0.72 | CYP2D6 (0.41) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL888447 | 0.71 | TSHR (0.39) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL9007789 | 0.71 | CYP2D6 (0.38) | CYP2D6CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL11004277 | 0.70 | ALDH1A1 (0.40) | CYP2C19MEN1KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL27486460 | 0.69 | SIGMAR1 (0.39) | CYP2D6CYP2C19CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009078029-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF TRANS 3,4- DIARYLCHROMAN AND THEIR DERIVATIVES | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-06-25 | — | — | WO | disclosed |