Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 17/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 10/20 | 0.65 |
| ▸ | ABCC1 | P33527 | 6/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469756 | 0.86 | POLB (0.67) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL2256504 | 0.84 | ABCG2 (0.73) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL14323064 | 0.81 | ABCG2 (0.56) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL3112389 | 0.80 | ABCG2 (0.71) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL22273241 | 0.79 | ABCG2 (1.00) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL8899168 | 0.79 | ABCG2 (0.72) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL7696554 | 0.79 | ABCG2 (0.58) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL28481400 | 0.78 | NPY5R (0.63) | ABCG2MEN1LMNATP53POLB | |
| Hydrochloric Acid SCHEMBL8907536 | 0.78 | ABCG2 (0.70) | ABCG2ABCB1ABCC1MEN1LMNA | |
| SCHEMBL13632592 | 0.78 | TP53 (0.59) | ABCG2ABCB1ABCC1MEN1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116143693-A | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | claimed |
| CN-111825610-A | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2020-10-27 | — | — | CN | claimed |
| CN-116143693-A | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-111825610-B | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-111825610-A | 2-methylquinoline derivative with anti-tumor activity and synthesis method and application thereof | 中国药科大学 | 2020-10-27 | — | — | CN | disclosed |