Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113612 | 0.78 | PDE2A (0.58) | HDAC1HDAC6HDAC3HDAC2NPC1 | |
| SCHEMBL25375689 | 0.75 | HDAC6 (0.48) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL28793250 | 0.74 | CXCR3 (0.51) | HDAC1HDAC6HDAC3HDAC2LMNA | |
| SCHEMBL4729552 | 0.71 | HDAC3 (1.00) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL23777401 | 0.71 | NPC1 (0.50) | HDAC1HDAC6HDAC3HDAC2NPC1 | |
| SCHEMBL4555610 | 0.71 | HDAC4 (0.62) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL19469572 | 0.70 | HDAC4 (0.65) | HDAC1HDAC6HDAC3HDAC2HDAC4 | |
| SCHEMBL30008296 | 0.68 | POLB (0.67) | HDAC1HDAC6HDAC3HDAC2KCNK3 | |
| SCHEMBL10605790 | 0.68 | LMNA (0.51) | HDAC1HDAC6HDAC3HDAC2LMNA | |
| SCHEMBL6170575 | 0.68 | POLB (0.67) | HDAC1HDAC6HDAC3HDAC2KCNK3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104487433-B | Triazolone compounds as mPGES-1 inhibitors | 格兰马克药品股份有限公司 | 2016-12-07 | — | — | CN | disclosed |