Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.31 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5721626 | 0.89 | PDK2 (0.34) | PDK2 | |
| SCHEMBL5721678 | 0.86 | PDK2 (0.30) | PDK2 | |
| SCHEMBL5721766 | 0.84 | HEXA (0.33) | PDK2 | |
| SCHEMBL5721654 | 0.82 | DHFR (0.34) | DHFRNPC1ALDH1A1CYP3A4TSHR | |
| SCHEMBL5721689 | 0.78 | PDK2 (0.30) | PDK2 | |
| SCHEMBL5721742 | 0.78 | DHFR (0.32) | DHFRCSNK2A2CSNK2BCSNK2A1CSNK2A3 | |
| SCHEMBL5721675 | 0.78 | DHFR (0.32) | DHFRCSNK2A2CSNK2BCSNK2A1CSNK2A3 | |
| SCHEMBL5721826 | 0.78 | PDCD1 (0.33) | DHFRL3MBTL1CSNK2A2CSNK2BCSNK2A1 | |
| SCHEMBL5721455 | 0.77 | GCGR (0.32) | — | |
| SCHEMBL5721177 | 0.76 | TLR8 (0.33) | DHFR |
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-1640377-A1 | Metallocenes and catalyst compositions derived therefrom | Exxonmobil Chemical Patents Inc. (US) | 2006-03-29 | — | — | EP | disclosed |