Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3239397 | 0.93 | ALDH1A1 (0.40) | HDAC1HDAC6CECR2GLO1ALDH1A1 | |
| SCHEMBL3237136 | 0.86 | TYR (0.39) | HDAC1HDAC6KMT2AGFERCNR2 | |
| SCHEMBL3238452 | 0.81 | BRD9 (0.36) | HDAC1HDAC6KMT2AGFERHTT | |
| SCHEMBL3242838 | 0.81 | CASP3 (0.33) | HDAC1HDAC6GFERMAPK1 | |
| SCHEMBL3347259 | 0.78 | PTGDR2 (0.46) | KMT2AHTTKDM4EMEN1LMNA | |
| SCHEMBL3243476 | 0.77 | ALDH1A1 (0.36) | CECR2ALDH1A1KMT2AGFERHPGD | |
| SCHEMBL3236371 | 0.77 | PTGDR2 (0.44) | GFERRAB9A | |
| SCHEMBL3243756 | 0.76 | BRD4 (0.36) | KMT2AGFERKDM4EMEN1MAPT | |
| SCHEMBL2311708 | 0.73 | HSP90AA1 (0.35) | — | |
| SCHEMBL3235748 | 0.73 | GFER (0.35) | ALDH1A1KMT2AGFERHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | claimed |