Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 5/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824684 | 0.90 | TOP2A (0.36) | ALDH1A1POLBOPRM1CYP1A2CYP2C9 | |
| SCHEMBL9824167 | 0.89 | CYP1A2 (0.39) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9824506 | 0.88 | ALDH1A1 (0.38) | ALDH1A1POLBOPRM1CYP1A2CYP2C9 | |
| SCHEMBL9823991 | 0.88 | ALDH1A1 (0.46) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9824606 | 0.85 | ALDH1A1 (0.55) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9824851 | 0.82 | PIM1 (0.40) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9824776 | 0.82 | ALDH1A1 (0.40) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9825005 | 0.81 | IKBKB (0.50) | IKBKBAURKACHUKMAPK13DAPK3 | |
| SCHEMBL9824887 | 0.80 | ALDH1A1 (0.36) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL9825033 | 0.80 | KDM4E (0.43) | ALDH1A1POLBTOP2AHSD17B10KDM4E |
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 |