Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8323834 | 0.92 | CHRM1 (0.40) | CHRM1SERPINE1ABCB11EGFRERBB2 | |
| SCHEMBL8325882 | 0.92 | CHRM1 (0.39) | CHRM1SERPINE1TP53ABCB11EGFR | |
| SCHEMBL8330277 | 0.88 | AGTR1 (0.37) | CHRM1AGTR1AGTR2 | |
| SCHEMBL8328346 | 0.83 | CHRM1 (0.55) | CHRM1SERPINE1LMNA | |
| SCHEMBL9047126 | 0.81 | AGTR1 (0.44) | AGTR1 | |
| SCHEMBL8322773 | 0.79 | CHRM1 (0.46) | CHRM1ABCB11EGFRERBB2CYP3A4 | |
| SCHEMBL8325881 | 0.78 | CHRM1 (0.45) | CHRM1ABCB11EGFRERBB2CYP3A4 | |
| SCHEMBL7470658 | 0.77 | ABCB11 (0.47) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL2773417 | 0.75 | AGTR2 (0.57) | TP53ABCB11EGFRERBB2CYP3A4 | |
| SCHEMBL7467241 | 0.75 | ABCB11 (0.42) | ABCB11EGFRERBB2CYP3A4ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0498721-B1 | N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them | HOECHST MARION ROUSSEL INC (FR) | 1999-12-22 | — | — | EP | claimed |