Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4835362 | 0.80 | CFTR (0.48) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL9314550 | 0.80 | CYP19A1 (0.51) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL1266179 | 0.77 | — | — | |
| SCHEMBL29668672 | 0.77 | — | — | |
| SCHEMBL1455475 | 0.77 | — | — | |
| SCHEMBL222775 | 0.77 | — | — | |
| SCHEMBL10015329 | 0.77 | — | — | |
| SCHEMBL30391667 | 0.76 | — | — | |
| SCHEMBL10446411 | 0.76 | CFTR (0.58) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL10236 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2661428-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012087861-A1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-06-28 | — | — | WO | disclosed |