Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9825033 | 0.91 | KDM4E (0.43) | ALKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9824874 | 0.89 | ALDH1A1 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9823991 | 0.85 | ALDH1A1 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9824606 | 0.85 | ALDH1A1 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10667865 | 0.83 | PIM1 (0.46) | KCNH2ALKKDM4EALDH1A1POLB | |
| SCHEMBL9824213 | 0.83 | PIM1 (0.40) | ALKKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9824776 | 0.83 | ALDH1A1 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9824482 | 0.82 | IKBKB (0.49) | — | |
| SCHEMBL9824684 | 0.81 | TOP2A (0.36) | CYP1A2CYP2C9KCNH2ALKKDM4E | |
| SCHEMBL9824143 | 0.81 | ALK (0.39) | ALKKDM4EALDH1A1HPGDHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0227088-B1 | ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES | ABBOTT LABORATORIES (US) | 1991-08-07 | — | — | EP | disclosed |
| US-4767762-A | Tricyclic quinoline and naphthyride antibacterials | ABBOTT LABORATORIES (US) | 1988-08-30 | — | — | US | disclosed |
| EP-0227088-A1 | Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives | ABBOTT LABORATORIES (US) | 1987-07-01 | — | — | EP | disclosed |