Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30969316 | 0.89 | ALDH1A1 (0.47) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL30969314 | 0.86 | RAB9A (0.49) | ALDH1A1MAPK1LMNAACHEKCNH2 | |
| SCHEMBL9294324 | 0.85 | ALDH1A1 (0.52) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL10694847 | 0.81 | SMN1; SMN2 (0.54) | ALDH1A1MAPK1POLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL3629060 | 0.81 | ALDH1A1 (0.77) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL17779288 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL4006637 | 0.78 | ALDH1A1 (0.54) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL9490255 | 0.77 | ALDH1A1 (0.70) | ALDH1A1MAPK1LMNASLC22A2SLC22A1 | |
| SCHEMBL1803092 | 0.77 | ADRA2A (0.53) | ALDH1A1MAPK1LMNATSHRCYP2C19 | |
| SCHEMBL10356667 | 0.77 | PRSS1 (0.56) | ALDH1A1MAPK1LMNAACHEKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110835336-B | Oxygen-containing heterocyclic substituted azole compound and application thereof | 中国药科大学 | 2022-10-04 | — | — | CN | claimed |
| CN-110835336-B | Oxygen-containing heterocyclic substituted azole compound and application thereof | 中国药科大学 | 2022-10-04 | — | — | CN | disclosed |