Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL13560529 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL29211279 | 0.78 | KDM4E (0.36) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL31575794 | 0.78 | KMT2A (0.46) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL951646 | 0.75 | ALDH1A1 (0.52) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL2564768 | 0.74 | GRM6 (0.41) | ALDH1A1GAAMAPTTSHRKDM4E | |
| SCHEMBL3641814 | 0.74 | KDM4E (0.52) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL13560604 | 0.74 | KDM4E (0.52) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL6182362 | 0.73 | TSHR (0.46) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL6182359 | 0.73 | TSHR (0.46) | ALDH1A1HSD17B10LMNAMAPK1HTT | |
| SCHEMBL1149707 | 0.72 | KDM4E (0.47) | ALDH1A1LMNAGAATSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8304419-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2012-11-06 | — | — | US | disclosed |
| EP-2166856-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008154271-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-12-18 | — | — | WO | disclosed |