Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20693127 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MAPK1GAACYP3A4EGFR | |
| SCHEMBL20693125 | 0.80 | ADORA2B (0.40) | ALDH1A1GAACYP3A4EGFRACHE | |
| SCHEMBL5162572 | 0.79 | RECQL (0.41) | ALDH1A1KDM4EMAPK1GAAEGFR | |
| SCHEMBL25086824 | 0.78 | P2RX3 (0.40) | ALDH1A1KDM4E | |
| SCHEMBL20693128 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1KDM4EGAAL3MBTL1MEN1 | |
| SCHEMBL23664492 | 0.76 | RECQL (0.36) | ALDH1A1MAPK1GAAEGFRCYP1A2 | |
| SCHEMBL23635720 | 0.75 | EGFR (0.37) | ALDH1A1GAACYP3A4EGFRL3MBTL1 | |
| SCHEMBL3875250 | 0.73 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPK1GAACYP3A4 | |
| SCHEMBL25061628 | 0.72 | ADRA2A (0.43) | ALDH1A1KDM4EACHEBCHENPSR1 | |
| SCHEMBL17582653 | 0.72 | ALDH1A1 (0.66) | ALDH1A1KDM4EMAPK1GAACYP3A4 |
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-2021139482-A1 | CARBOXYLIC ACID DERIVATIVE-SUBSTITUTED IMINO ARYL COMPOUND, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2021-07-15 | — | — | WO | disclosed |