Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22325532 | 0.73 | TSHR (0.39) | NFKB1CYP1A2CYP2D6PKMTSHR | |
| SCHEMBL28473293 | 0.71 | CYP2D6 (0.38) | NFKB1CYP1A2CYP2D6PKMTSHR | |
| SCHEMBL22325498 | 0.68 | MEN1 (0.37) | MAPTMEN1KMT2AALDH1A1POLB | |
| SCHEMBL28970780 | 0.68 | KMT2A (0.34) | PKMTP53MAPTMEN1KMT2A | |
| SCHEMBL5022990 | 0.68 | HTT (0.43) | TSHRSMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL3431906 | 0.68 | SMN1; SMN2 (0.36) | NFKB1CYP1A2CYP2D6PKMTSHR | |
| Bicarbonate SCHEMBL8116427 | 0.67 | GPBAR1 (0.44) | TSHRMAOBTP53LMNAMAPT | |
| Bicarbonate SCHEMBL8124381 | 0.67 | GPBAR1 (0.44) | TSHRMAOBTP53LMNAMAPT | |
| SCHEMBL7737636 | 0.67 | SIGMAR1 (0.37) | LMNA | |
| SCHEMBL9692745 | 0.67 | SIGMAR1 (0.42) | TSHRSMN1; SMN2LMNAMAPTALDH1A1 |
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 |