Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6209605 | 0.89 | DPP4 (0.44) | ALDH1A1HDAC3HDAC1SMN1; SMN2MAPT | |
| SCHEMBL5941500 | 0.87 | NAMPT (0.46) | ALDH1A1NAMPTPTAFR | |
| SCHEMBL6211528 | 0.87 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC1SMN1; SMN2MAPT | |
| SCHEMBL6212212 | 0.87 | PTAFR (0.42) | ALDH1A1SMN1; SMN2PTAFR | |
| SCHEMBL6211236 | 0.87 | PTAFR (0.40) | ALDH1A1HDAC3HDAC1SMN1; SMN2NAMPT | |
| SCHEMBL6212722 | 0.86 | CHRM4 (0.43) | NAMPTPTAFR | |
| SCHEMBL6209099 | 0.85 | ROCK2 (0.41) | ALDH1A1NAMPTPTAFR | |
| SCHEMBL6259166 | 0.85 | NAMPT (0.41) | HDAC3HDAC1NAMPTPTAFR | |
| SCHEMBL6259546 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HDAC3HDAC1SMN1; SMN2MAPT | |
| SCHEMBL6209860 | 0.84 | HDAC1 (0.44) | HDAC3HDAC1DRD3HTR2APTAFR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |
| EP-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | disclosed |