Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.53 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.53 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.53 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | RET | P07949 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.53 |
| ▸ | LTK | P29376 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.53 |
| ▸ | FLT3 | P36888 | 1/20 | 0.53 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.53 |
| ▸ | CDK7 | P50613 | 1/20 | 0.53 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5604228 | 0.77 | ALDH1A1 (0.76) | ACHEALDH1A1NTRK1NTRK3NTRK2 | |
| SCHEMBL5605289 | 0.77 | ALDH1A1 (0.76) | ACHEALDH1A1NTRK1NTRK3NTRK2 | |
| SCHEMBL5604224 | 0.77 | ALDH1A1 (0.76) | ACHEALDH1A1NTRK1NTRK3NTRK2 | |
| SCHEMBL3438413 | 0.76 | ALDH1A1 (0.71) | ALDH1A1CYP1A2EGFRMAOBMEN1 | |
| SCHEMBL3438410 | 0.76 | ALDH1A1 (0.71) | ALDH1A1CYP1A2EGFRMAOBMEN1 | |
| SCHEMBL1093746 | 0.75 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C19NTRK1NTRK3 | |
| SCHEMBL6084960 | 0.75 | KDM4E (0.50) | ACHEALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL6084953 | 0.75 | KDM4E (0.50) | ACHEALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL8204792 | 0.75 | POLB (0.58) | ACHEALDH1A1CYP1A2CYP2C19NTRK1 | |
| SCHEMBL8204790 | 0.75 | POLB (0.58) | ACHEALDH1A1CYP1A2CYP2C19NTRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106890174-A | Small molecule heterocyclic compound based on curcumin structure and its application for preparing antineoplastic | 河南工业大学 | 2017-06-27 | — | — | CN | disclosed |