Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1850273 | 0.73 | RORC (0.34) | ALDH1A1RORCKDM4E | |
| SCHEMBL22863710 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL9129931 | 0.70 | PTGS2 (0.40) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL10843571 | 0.68 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL669872 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL29454023 | 0.64 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TDP1PTGS2 | |
| SCHEMBL26420673 | 0.64 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL30861905 | 0.64 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL27707645 | 0.64 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL23775788 | 0.63 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TDP1PTGS2KDM4E |
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-2605658-A1 | SPIROXAZOLIDINONE COMPOUNDS | Merck Sharp & Dohme Corp. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024183-A1 | SPIROXAZOLIDINONE COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-02-23 | — | — | WO | disclosed |