Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.43 |
| ▸ | PARG | Q86W56 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1155916 | 0.77 | PARG (0.54) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL724096 | 0.76 | MAPT (0.64) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL719907 | 0.76 | KDM4E (0.76) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL28417797 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL717905 | 0.76 | KCNH2 (0.67) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL6982862 | 0.75 | HIF1A (0.57) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL3499961 | 0.75 | KDM4E (0.61) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL719418 | 0.74 | KCNH2 (0.52) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 | |
| SCHEMBL24641442 | 0.73 | HIF1A (0.53) | KDM4EALDH1A1HPGDHSD17B10HIF1A | |
| SCHEMBL15714086 | 0.73 | HIF1A (0.58) | KDM4EALDH1A1SMN1; SMN2HPGDTP53 |
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-2006010008-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-26 | — | — | WO | disclosed |