Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | WEE1 | P30291 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9823980 | 0.91 | KDM4E (0.42) | KCNH2HRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL9823950 | 0.87 | LMNA (0.46) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL9824114 | 0.84 | ALDH1A1 (0.41) | KCNH2HRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL10767733 | 0.84 | KMT2A (0.46) | ALDH1A1KDM4EHPGDLMNAPOLB | |
| SCHEMBL9824212 | 0.84 | MEN1 (0.39) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL9824544 | 0.84 | GSK3B (0.33) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL9824309 | 0.83 | HSD17B10 (0.42) | KCNH2HRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL9824954 | 0.83 | KCNH2 (0.43) | KCNH2HRH3ALDH1A1KDM4EHPGD | |
| SCHEMBL9824990 | 0.82 | — | — | |
| SCHEMBL9824744 | 0.78 | LMNA (0.55) | ALDH1A1KDM4EHPGDHSD17B10LMNA |
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 |