Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27679509 | 0.79 | GAA (0.33) | TSHRCYP2D6CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL22325534 | 0.73 | NFKB1 (0.35) | TSHRCYP2D6CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL22325495 | 0.72 | MEN1 (0.37) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL4383887 | 0.72 | KMT2A (0.39) | TSHRSMN1; SMN2PKMLMNANPSR1 | |
| SCHEMBL3431906 | 0.71 | SMN1; SMN2 (0.36) | TSHRCYP2D6CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL7420613 | 0.70 | PPARA (0.44) | TSHRCYP2D6CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL3380544 | 0.70 | PPARA (0.44) | TSHRCYP2D6CYP2C19SMN1; SMN2CYP1A2 | |
| SCHEMBL30613915 | 0.68 | PPARG (0.59) | — | |
| SCHEMBL27821524 | 0.68 | PPARG (0.59) | — | |
| SCHEMBL16635226 | 0.68 | PPARG (0.59) | — |
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-2020162612-A1 | PYRIDINE COMPOUND SUBSTITUTED BY HETEROARYL | 大正製薬株式会社 | 2020-08-13 | — | — | WO | disclosed |