Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TNKS | O95271 | 2/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22410646 | 0.76 | ADORA2A (0.52) | HPGDTSHRALDH1A1ADORA2AADORA1 | |
| SCHEMBL22410640 | 0.75 | ALDH1A1 (0.50) | TSHRALDH1A1TNKSTNKS2PARP1 | |
| SCHEMBL22410656 | 0.75 | KMT2A (0.50) | HPGDTSHRALDH1A1ADORA2AADORA1 | |
| SCHEMBL22410903 | 0.75 | ALDH1A1 (0.58) | HPGDTSHRALDH1A1TNKSTNKS2 | |
| SCHEMBL22410900 | 0.74 | ADORA2A (0.59) | HPGDTSHRALDH1A1TNKSTNKS2 | |
| SCHEMBL22410700 | 0.73 | MAPK1 (0.51) | HPGDTNKSTNKS2PARP10PARP2 | |
| SCHEMBL22410881 | 0.73 | ADORA2A (0.55) | HPGDTSHRALDH1A1TNKSTNKS2 | |
| SCHEMBL22410635 | 0.73 | ADORA2A (0.57) | HPGDTSHRALDH1A1TNKSTNKS2 | |
| SCHEMBL22410955 | 0.72 | ADORA2A (0.54) | HPGDTNKSTNKS2PARP1PARP10 | |
| SCHEMBL6848943 | 0.72 | TSHR (0.57) | HPGDTSHRALDH1A1TNKSTNKS2 |
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-2011111880-A1 | PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING DISEASES CAUSED BY THE NUCLEAR EXPORT OF GSK3, INCLUDING A COMPOUND FOR INHIBITING THE NUCLEAR EXPORT OF GSK3 | 주식회사 메디젠텍 (KR) | 2011-09-15 | — | — | WO | disclosed |