Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CCR2 | P41597 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 5/20 | 0.44 |
| ▸ | PPARA | Q07869 | 5/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3836440 | 0.85 | ALDH1A1 (0.62) | CA12CA2CA9HDAC3HDAC4 | |
| SCHEMBL3837213 | 0.84 | PPARG (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2954808 | 0.82 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12804418 | 0.78 | HDAC3 (0.53) | CA12CA2CA9HDAC3HDAC4 | |
| SCHEMBL4053686 | 0.77 | CA2 (0.52) | CA12CA2CA9HDAC3HDAC4 | |
| SCHEMBL4035724 | 0.75 | ALDH1A1 (0.52) | CA12CA2CA9HDAC3HDAC4 | |
| SCHEMBL31579035 | 0.74 | HTR6 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2928475 | 0.73 | PTGS2 (0.55) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4551501 | 0.73 | SRC (0.46) | CA12CA2CA9LMNAALDH1A1 | |
| SCHEMBL741459 | 0.73 | ACLY (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776106-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-25 | — | — | EP | disclosed |
| WO-2006010008-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-26 | — | — | WO | disclosed |