Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 8/20 | 0.47 |
| ▸ | KDR | P35968 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL14090663 | 0.85 | SMN1; SMN2 (0.51) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL29230429 | 0.81 | PDE3B (0.49) | SMN1; SMN2PDE3BPDE3AEGFRKDR | |
| SCHEMBL29532044 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL294809 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL30080024 | 0.77 | PDE3B (0.49) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL2722557 | 0.77 | PDE3B (0.49) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL3318468 | 0.76 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL11320298 | 0.76 | SMN1; SMN2 (0.55) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL2171367 | 0.75 | EGFR (0.57) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A | |
| SCHEMBL30636665 | 0.75 | EGFR (0.57) | SMN1; SMN2ALDH1A1HTTPDE3BPDE3A |
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-118146151-A | 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-06-07 | — | — | CN | disclosed |