Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11773659 | 0.81 | HSD17B10 (0.70) | AURKASMN1; SMN2HSD17B10HTTMAPT | |
| SCHEMBL2419692 | 0.79 | HTT (0.54) | AURKASMN1; SMN2HSD17B10HTTMAPT | |
| SCHEMBL21263259 | 0.77 | SMN1; SMN2 (0.62) | AURKASMN1; SMN2HSD17B10HTTMAPT | |
| SCHEMBL2756735 | 0.76 | SMN1; SMN2 (0.67) | AURKASMN1; SMN2HSD17B10HTTMAPT | |
| SCHEMBL29954536 | 0.76 | AURKA (0.48) | AURKASMN1; SMN2HSD17B10HTTKDM4E | |
| SCHEMBL20909800 | 0.74 | SMN1; SMN2 (0.65) | AURKASMN1; SMN2HSD17B10HTTPOLB | |
| SCHEMBL16739826 | 0.73 | SMN1; SMN2 (0.62) | AURKASMN1; SMN2HSD17B10HTTMAPT | |
| SCHEMBL618430 | 0.73 | SMN1; SMN2 (1.00) | AURKASMN1; SMN2HTTMAPTKDM4E | |
| SCHEMBL12335638 | 0.72 | POLB (0.42) | AURKASMN1; SMN2HSD17B10MAPTGAA | |
| SCHEMBL8265307 | 0.71 | MAPT (0.50) | HSD17B10HTTMAPTGAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |