Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.48 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.48 |
| ▸ | TEK | Q02763 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25592377 | 0.88 | DDR2 (0.56) | TEKMAPTTP53AHRDDR2 | |
| SCHEMBL25591776 | 0.84 | ABL1 (0.50) | MAPTTRPV1NPC1GMNNLMNA | |
| SCHEMBL25593238 | 0.83 | ABL1 (0.47) | MAPTTRPV1NPC1GMNNLMNA | |
| SCHEMBL25590563 | 0.83 | SMN1; SMN2 (0.45) | ROCK1TEKMAPTNPC1TP53 | |
| SCHEMBL25215152 | 0.82 | ROCK2 (0.41) | ROCK1TEKMAPTROCK2 | |
| SCHEMBL31252853 | 0.82 | ROCK2 (0.41) | ROCK1TEKMAPTROCK2 | |
| SCHEMBL25590768 | 0.81 | KDR (0.51) | MAPTTRPV1NPC1GMNNLMNA | |
| SCHEMBL25590566 | 0.80 | NPC1 (0.49) | MAPTTRPV1NPC1GMNNLMNA | |
| SCHEMBL25590396 | 0.80 | CSF1R (0.53) | MAPTTRPV1NPC1GMNNLMNA | |
| SCHEMBL25590905 | 0.79 | ABL1 (0.42) | MAPTTRPV1NPC1GMNNLMNA |
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-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 |