Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL15597739 | 0.90 | ALDH1A1 (0.53) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL8554737 | 0.76 | ALDH1A1 (0.66) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL10424055 | 0.76 | ALDH1A1 (0.53) | ALDH1A1NOTUMHDAC1HDAC6HTR2C | |
| SCHEMBL29933410 | 0.75 | ALDH1A1 (0.60) | ALDH1A1NOTUMALOX12CHRM2CHRM3 | |
| SCHEMBL1437753 | 0.75 | ALDH1A1 (0.60) | ALDH1A1NOTUMALOX12CHRM2CHRM3 | |
| SCHEMBL24316039 | 0.74 | NOTUM (0.46) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL7257879 | 0.74 | NOTUM (0.46) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL2625790 | 0.74 | ALDH1A1 (0.58) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL8728886 | 0.73 | HDAC1 (0.52) | ALDH1A1NOTUMHDAC1HDAC6PDK1 | |
| SCHEMBL12742058 | 0.73 | ALDH1A1 (0.58) | ALDH1A1NOTUMALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| US-6828325-B2 | A benzoxazolopiperazine derivative useful for treating Parkinson's diseases, schizophrenia, anxiety and depression | SOLVAY PHARMACEUTICALS B.V. (CH) | 2004-12-07 | — | — | US | disclosed |