Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
| ▸ | TYK2 | P29597 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412609 | 0.96 | HDAC1 (0.44) | HDAC1BRD4ITGB3ITGA2BNPC1 | |
| SCHEMBL9412505 | 0.94 | TSHR (0.45) | HDAC1BRD4HDAC8 | |
| SCHEMBL9412697 | 0.91 | SMN1; SMN2 (0.47) | HDAC1BRD4ITGB3ITGA2BNPC1 | |
| Bromide SCHEMBL9412577 | 0.91 | ITGB3 (0.49) | HDAC1BRD4ITGB3ITGA2BITGA2 | |
| SCHEMBL9412515 | 0.89 | JAK2 (0.47) | BRD4ITGB3ITGA2BITGA2JAK2 | |
| Bromide SCHEMBL9412436 | 0.89 | ITGB3 (0.47) | HDAC1BRD4ITGB3ITGA2BITGA2 | |
| SCHEMBL9412544 | 0.88 | HDAC1 (0.48) | HDAC1BRD4ITGB3ITGA2BHDAC8 | |
| SCHEMBL9412623 | 0.86 | MAPT (0.46) | BRD4ITGB3ITGA2BNPC1ITGA2 | |
| Bromide SCHEMBL9412576 | 0.85 | ITGB3 (0.47) | HDAC1BRD4ITGB3ITGA2BITGA2 | |
| SCHEMBL9412591 | 0.84 | MAPT (0.51) | NPC1JAK2JAK1TYK2JAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0611660-A2 | Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds | Dr. Karl Thomae GmbH (DE) | 1994-08-24 | — | — | EP | disclosed |