Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | CXCR3 | P49682 | 3/20 | 0.48 |
| ▸ | TGM2 | P21980 | 1/20 | 0.48 |
| ▸ | CCR2 | P41597 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5366612 | 0.90 | HDAC6 (0.52) | HDAC6SMN1; SMN2GAARAB9ALMNA | |
| SCHEMBL5362714 | 0.89 | HDAC6 (0.59) | HDAC6CYP2C19LMNATGM2HDAC3 | |
| SCHEMBL5368040 | 0.81 | CCR2 (0.69) | HDAC6CCR2HDAC3HDAC4HDAC1 | |
| SCHEMBL5359321 | 0.80 | HDAC6 (0.47) | HDAC6KDM4ECXCR3HDAC3HDAC4 | |
| SCHEMBL5368386 | 0.78 | F10 (0.51) | HDAC6SMN1; SMN2NPC1RAB9AF10 | |
| SCHEMBL5368614 | 0.78 | HDAC6 (0.55) | HDAC6CYP2C19RAB9ALMNAHDAC3 | |
| SCHEMBL5363063 | 0.77 | HDAC6 (0.52) | HDAC6SMN1; SMN2MAPTNPC1CYP2C19 | |
| SCHEMBL5366291 | 0.77 | TPSAB1 (0.72) | SMN1; SMN2GAAMAPTNPC1CYP1A2 | |
| SCHEMBL14425184 | 0.75 | HDAC6 (0.52) | HDAC6SMN1; SMN2CYP2C19LMNAHDAC3 | |
| SCHEMBL14425189 | 0.74 | MEN1 (0.48) | HDAC6LMNAF10KCNH2CACNA1I |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |