Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7478781 | 0.83 | CYP2A6 (0.54) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL26121064 | 0.78 | CYP1A2 (0.52) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL1900115 | 0.78 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL1243989 | 0.74 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL449348 | 0.73 | CYP2A6 (1.00) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL5673224 | 0.73 | CYP2A6 (0.65) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL7482723 | 0.73 | CYP1A2 (0.58) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| Benzene SCHEMBL27349922 | 0.71 | CYP2A6 (0.95) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL11476794 | 0.71 | CYP2A6 (0.95) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL8729498 | 0.70 | CYP2A6 (0.60) | CYP2A6CYP1A2ALDH1A1HSD17B10TDP1 |
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 |