Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.56 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.54 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.54 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.54 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.50 |
| ▸ | ATF1 | P18846 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GMNN | O75496 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586318 | 0.93 | AHR (0.50) | AHRKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL25592374 | 0.85 | HTT (0.56) | MAPTRAB9AMEN1KMT2ALMNA | |
| SCHEMBL30184289 | 0.85 | HTT (0.56) | MAPTRAB9AMEN1KMT2ALMNA | |
| SCHEMBL25257907 | 0.84 | KCNQ3 (0.54) | AHRKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL30184161 | 0.84 | KCNQ3 (0.54) | AHRKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL25592153 | 0.80 | KCNQ3 (0.50) | AHRKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL25593238 | 0.78 | ABL1 (0.47) | AHRMAPTTRPV1NPC1RAB9A | |
| SCHEMBL25590564 | 0.78 | ROCK1 (0.48) | AHRMAPTTRPV1NPC1RAB9A | |
| SCHEMBL16585996 | 0.76 | NFKB1 (0.57) | AHRKCNQ3KCNQ2KCNE1KCNQ1 | |
| SCHEMBL25590770 | 0.75 | MAPT (0.43) | AHRMAPTTRPV1NPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115785064-B | Preparation of trisubstituted pyridine derivatives and use thereof as modulators of aromatic hydrocarbon receptors | 成都奥睿药业有限公司 | 2024-12-06 | — | — | CN | disclosed |
| 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 |