Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29143191 | 0.81 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL7478787 | 0.81 | SIGMAR1 (0.59) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL516020 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL11672429 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL6568773 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL29870751 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL28864374 | 0.77 | SIGMAR1 (0.54) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL3637274 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP1A2CYP2A6ALDH1A1TSHR | |
| SCHEMBL23791095 | 0.75 | SIGMAR1 (0.52) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL1683320 | 0.75 | SIGMAR1 (0.63) | SIGMAR1CYP1A2CYP2A6ALDH1A1HSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818512-B1 | Quinoline derivative and use of same | MITSUI CHEMICALS INC (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-6407242-B1 | REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE | MITSUI CHEMICALS, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| US-6132640-A | ZINC COMPLEXES OF QUINOLINE | MITSUI CHEMICALS, INC. (JP) | 2000-10-17 | — | — | US | disclosed |
| EP-0818512-A1 | Quinoline derivative and use of same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1998-01-14 | — | — | EP | disclosed |