Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 4/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18573199 | 0.88 | CHRNB2 (0.34) | HPGDSCHRNB2CHRNA3LDHAHSD17B1 | |
| SCHEMBL19794441 | 0.82 | HPGDS (0.52) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL18015360 | 0.79 | HPGDS (0.49) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL21125929 | 0.78 | CHEK2 (0.49) | HPGDSP4HTMCHRNB2CHRNA3CHEK2 | |
| SCHEMBL20068613 | 0.78 | CHEK2 (0.48) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL21125828 | 0.77 | CHEK2 (0.49) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL12925598 | 0.77 | KDM4E (0.52) | HPGDSP4HTMCHEK2TGFBR1PDK2 | |
| SCHEMBL21397867 | 0.76 | HPGDS (0.47) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL21125087 | 0.76 | HSD17B1 (0.49) | HPGDSP4HTMCHEK2KDRTGFBR1 | |
| SCHEMBL21721920 | 0.75 | LDHA (0.50) | HPGDSDHODHLDHACYP11B1CYP11B2 |
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-2016124304-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-08-11 | — | — | WO | disclosed |