Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 4/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL13359463 | 0.76 | GSK3B (0.50) | GSK3BCDC7DBF4NPC1MAPT | |
| SCHEMBL14100167 | 0.76 | GPR35 (0.33) | TDP1 | |
| SCHEMBL14100163 | 0.73 | GSK3B (0.44) | GSK3BCDC7DBF4NPC1MAPT | |
| SCHEMBL12086751 | 0.73 | ALDH1A1 (0.47) | GSK3BCDC7DBF4NPC1MAPT | |
| SCHEMBL3010802 | 0.67 | ADRA2A (0.46) | GSK3BADRA2AADRA2BADRA2CCDC7 | |
| SCHEMBL3041792 | 0.66 | MAPT (0.46) | GSK3BCDC7DBF4NPC1MAPT | |
| SCHEMBL6030900 | 0.66 | TSHR (0.50) | GSK3BNPC1MAPTRAB9AKMT2A | |
| SCHEMBL1141274 | 0.66 | GAA (0.56) | GSK3BCDC7DBF4NPC1MAPT | |
| SCHEMBL189938 | 0.65 | ALDH1A1 (0.49) | ADRA2AADRA2BADRA2CCDC7DBF4 | |
| Lithium SCHEMBL7065338 | 0.64 | GAA (0.55) | GSK3BCDC7DBF4NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1694659-B1 | THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2008-08-27 | — | — | EP | disclosed |