Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | TOP1 | P11387 | 4/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 12/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 10/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824649 | 0.92 | PIM1 (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824795 | 0.85 | ALDH1A1 (0.49) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824606 | 0.85 | ALDH1A1 (0.55) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824213 | 0.84 | PIM1 (0.40) | ALDH1A1POLBTOP1PIM1GSK3A | |
| SCHEMBL9824851 | 0.84 | PIM1 (0.40) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824575 | 0.84 | ALDH1A1 (0.49) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824885 | 0.82 | ALDH1A1 (0.48) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824920 | 0.81 | PIM1 (0.45) | ALDH1A1TOP1PIM1GSK3APIM3 | |
| SCHEMBL9824535 | 0.80 | KMT2A (0.45) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9825282 | 0.79 | PIM1 (0.50) | ALDH1A1POLBCHRM2CHRM1OPRM1 |
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 |