Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | LTK | P29376 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | CDK9 | P50750 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.32 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5403133 | 0.86 | GABRA1 (0.40) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL9859732 | 0.81 | GABRA1 (0.37) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL8605193 | 0.80 | GABRA1 (0.36) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL1646863 | 0.80 | GABRA1 (0.36) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL2362467 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL9504989 | 0.77 | GABRA1 (0.36) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL10766912 | 0.76 | ALDH1A1 (0.38) | GABRA1GABRB2KMT2AMEN1MAPT | |
| Bromide SCHEMBL27823869 | 0.75 | GABRA1 (0.49) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL27886719 | 0.74 | GABRA1 (0.47) | GABRA1GABRB2AURKADAPK3MAP4K4 | |
| SCHEMBL2362270 | 0.74 | GABRA1 (0.39) | GABRA1GABRB2AURKADAPK3MAP4K4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |