Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.42 |
| ▸ | TEK | Q02763 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25590671 | 0.84 | SMN1; SMN2 (0.46) | SMN1; SMN2NPC1RAB9AMAOBALDH1A1 | |
| SCHEMBL25590666 | 0.83 | MAOB (0.53) | NPC1RAB9AMAOBROCK2ALDH1A1 | |
| SCHEMBL25590481 | 0.83 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9AMAOBALDH1A1 | |
| SCHEMBL25590564 | 0.83 | ROCK1 (0.48) | SMN1; SMN2NPC1RAB9AROCK2TEK | |
| SCHEMBL25591775 | 0.81 | MAOB (0.62) | SMN1; SMN2NPC1RAB9AMAOBALDH1A1 | |
| SCHEMBL25592377 | 0.81 | DDR2 (0.56) | TEKHSD17B10TP53MAPTKDM4E | |
| SCHEMBL25591365 | 0.80 | MAOB (0.47) | SMN1; SMN2NPC1RAB9AMAOBMAPT | |
| SCHEMBL25590476 | 0.79 | MAOB (0.42) | SMN1; SMN2NPC1RAB9AMAOBALDH1A1 | |
| SCHEMBL25590486 | 0.77 | RAB9A (0.53) | SMN1; SMN2NPC1RAB9ATEKALDH1A1 | |
| SCHEMBL25215152 | 0.77 | ROCK2 (0.41) | ROCK2TEKMAPTROCK1 |
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 |