Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.54 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.54 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.54 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ATF1 | P18846 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | XPO1 | O14980 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.47 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30184161 | 1.00 | KCNQ3 (0.54) | KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2 | |
| SCHEMBL25210996 | 0.84 | AHR (0.56) | KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2 | |
| SCHEMBL25592152 | 0.82 | RAB9A (0.54) | SMN1; SMN2MAPTNPSR1NFKB1NPC1 | |
| SCHEMBL25592153 | 0.80 | KCNQ3 (0.50) | KCNQ3KCNQ2KCNE1KCNQ1ATF1 | |
| SCHEMBL16586318 | 0.78 | AHR (0.50) | KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2 | |
| SCHEMBL18070920 | 0.73 | MAPT (0.61) | KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2 | |
| SCHEMBL2166830 | 0.73 | SMN1; SMN2 (0.60) | SMN1; SMN2MAPTXBP1NPSR1ATF1 | |
| SCHEMBL6368658 | 0.73 | TRPV1 (0.69) | KCNQ3KCNQ2KCNE1KCNQ1ATF1 | |
| SCHEMBL17152729 | 0.72 | SMN1; SMN2 (0.56) | SMN1; SMN2MAPTATF1NFKB1AHR | |
| SCHEMBL3135086 | 0.72 | KCNQ3 (0.86) | KCNQ3KCNQ2KCNE1KCNQ1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |
| CN-115785064-A | Preparation of tri-substituted pyridine derivatives and their use as modulators of aromatic hydrocarbon receptors | 成都奥睿药业有限公司 | 2023-03-14 | — | — | CN | disclosed |