Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6209065 | 0.92 | HDAC1 (0.43) | HDAC3HDAC1NPC1DRD3DRD2 | |
| SCHEMBL6210338 | 0.88 | DPP4 (0.46) | HDAC3HDAC1DRD3NAMPTTSHR | |
| SCHEMBL6212649 | 0.88 | NPC1 (0.40) | NPC1KMT2AHPGDSDRD3DRD2 | |
| SCHEMBL6211528 | 0.87 | ALDH1A1 (0.44) | HDAC3HDAC1DRD3NAMPTALDH1A1 | |
| SCHEMBL6211778 | 0.85 | TAOK1 (0.37) | NPC1KMT2AHPGDSDRD3DRD2 | |
| SCHEMBL6259546 | 0.83 | ALDH1A1 (0.46) | HDAC3HDAC1DRD3DRD2NAMPT | |
| SCHEMBL6262865 | 0.81 | HDAC3 (0.45) | HDAC3HDAC1DRD3DRD2HTR1A | |
| SCHEMBL4044775 | 0.81 | CTSK (0.50) | — | |
| SCHEMBL4043771 | 0.81 | CTSK (0.41) | NPC1KMT2A | |
| SCHEMBL6210861 | 0.79 | HDAC1 (0.41) | HDAC3HDAC1DRD3NAMPTALDH1A1 |
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-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 |