Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351839 | 0.81 | HDAC8 (0.45) | BRD4BRD9MAPTHDAC1HDAC6 | |
| SCHEMBL4347334 | 0.80 | CD38 (0.46) | MAPTGAATP53MAPK1HSD17B10 | |
| SCHEMBL4346146 | 0.79 | SMN1; SMN2 (0.41) | MAPTGAATP53MAPK1HSD17B10 | |
| SCHEMBL4355466 | 0.79 | CYP3A4 (0.44) | MAPTHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4345509 | 0.78 | MAPT (0.36) | BRD4MAPTHDAC1HDAC6GAA | |
| SCHEMBL4346931 | 0.78 | PRMT1 (0.40) | MAPTGAATP53MAPK1HSD17B10 | |
| SCHEMBL4348935 | 0.75 | FABP4 (0.32) | GAATP53HSD17B10MEN1ALDH1A1 | |
| SCHEMBL4343949 | 0.75 | SLC6A4 (0.45) | MAPTGAATP53MAPK1HSD17B10 | |
| SCHEMBL4345487 | 0.75 | MAPT (0.39) | MAPTGAATP53MAPK1HSD17B10 | |
| SCHEMBL11511026 | 0.74 | CYP2A6 (0.48) | BRD4BRD9MAPTFFAR1FFAR4 |
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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |