Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 4/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | SPR | P35270 | 2/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6848735 | 0.86 | TSHR (0.49) | TSHRALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL22410900 | 0.79 | ADORA2A (0.59) | TSHRALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL22410640 | 0.76 | ALDH1A1 (0.50) | TSHRALDH1A1ADORA2AADORA1KMT2A | |
| SCHEMBL22410782 | 0.74 | TSHR (0.46) | TSHRALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL22410903 | 0.74 | ALDH1A1 (0.58) | TSHRALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL1031367 | 0.73 | ALDH1A1 (1.00) | TSHRALDH1A1HPGDKMT2ATNKS | |
| SCHEMBL22410785 | 0.73 | SPR (0.47) | TSHRALDH1A1ADORA2AADORA1SPR | |
| SCHEMBL22410664 | 0.73 | ALDH1A1 (0.47) | TSHRALDH1A1ADORA2AADORA1KMT2A | |
| SCHEMBL22410656 | 0.73 | KMT2A (0.50) | TSHRALDH1A1ADORA2AADORA1HPGD | |
| SCHEMBL6848676 | 0.72 | HPGD (0.53) | TSHRALDH1A1ADORA2AADORA1HPGD |
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 |