Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GPR183 | P32249 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | ME2 | P23368 | 1/20 | 0.37 |
| ▸ | ME1 | P48163 | 1/20 | 0.37 |
| ▸ | ME3 | Q16798 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1600327 | 0.86 | ALDH1A1 (0.45) | ALDH1A1CYP11B1CYP11B2HSD17B10KDM4E | |
| SCHEMBL19908235 | 0.78 | ALK (0.46) | ALDH1A1LMNAGAA | |
| SCHEMBL11377517 | 0.72 | HSD17B10 (0.67) | ALDH1A1HSD17B10GAAHSD11B1 | |
| SCHEMBL14387373 | 0.70 | ALK (0.38) | ALDH1A1KDM4E | |
| SCHEMBL7951142 | 0.68 | LRRK2 (0.33) | RAB9A | |
| SCHEMBL1601536 | 0.66 | ALK (0.42) | EIF2AK3 | |
| SCHEMBL19908312 | 0.64 | HTR6 (0.51) | LMNAGAAPKM | |
| SCHEMBL19908205 | 0.64 | ALK (0.52) | — | |
| SCHEMBL1601017 | 0.64 | ALK (0.67) | — | |
| SCHEMBL1600998 | 0.64 | AVPR2 (0.49) | CYP11B1CYP11B2HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2091951-B1 | PYRIDO[2,3-B]PYRAZINE AND [1,8]-NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS | CEPHALON INC (US) | 2018-02-28 | — | — | EP | disclosed |