Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | TOP1 | P11387 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.38 |
| ▸ | PRKCG | P05129 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | MARK3 | P27448 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL9824479 | 0.85 | KDM4E (0.36) | ALDH1A1PIM1GSK3AIKBKBAURKA | |
| SCHEMBL9824962 | 0.84 | ALK (0.39) | ALDH1A1PIM1GSK3AIKBKBAURKA | |
| SCHEMBL9824957 | 0.84 | ALDH1A1 (0.54) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824885 | 0.83 | ALDH1A1 (0.48) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824575 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9824308 | 0.81 | PRKD3 (0.43) | TOP1PIM1GSK3AGSK3BPIM3 | |
| SCHEMBL9823968 | 0.80 | KMT2A (0.49) | — | |
| SCHEMBL9839117 | 0.78 | TOP2A (0.40) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| SCHEMBL9209335 | 0.78 | PIM1 (0.47) | ALDH1A1POLBCHRM2CHRM1OPRM1 | |
| Hydrochloric Acid SCHEMBL9839687 | 0.77 | TOP2A (0.39) | 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 |