Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12831055 | 0.89 | NFKB1 (0.42) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12756753 | 0.83 | NFKB1 (0.43) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12831315 | 0.81 | NFKB1 (0.43) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12831059 | 0.79 | NFKB1 (0.39) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12756756 | 0.76 | GLS (0.49) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12831308 | 0.75 | ALDH1A1 (0.44) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12756745 | 0.75 | GLS (0.42) | GLSHDAC1HDAC2HDAC3LMNA | |
| SCHEMBL7950069 | 0.73 | NFKB1 (0.42) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12830901 | 0.73 | GLS (0.46) | NFKB1NFKB2RELAGLSHDAC1 | |
| SCHEMBL12829855 | 0.72 | NPC1 (0.48) | NFKB1NFKB2RELAHDAC1HDAC2 |
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-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |