Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 1/20 | 0.30 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5721604 | 0.89 | PTGS2 (0.33) | ALDH1A1HSD17B10CYP2A6CYP2B6PTGS2 | |
| SCHEMBL5721311 | 0.86 | CYP2A6 (0.33) | ALDH1A1HSD17B10CYP2A6CYP2B6PTGS2 | |
| SCHEMBL5721167 | 0.85 | HEXA (0.34) | ALDH1A1PTGS2MYCL3MBTL1 | |
| SCHEMBL5721236 | 0.83 | NPC1 (0.38) | ALDH1A1CYP2A6CYP2B6PTGS2ESR2 | |
| SCHEMBL5721565 | 0.82 | PDCD1 (0.34) | PTGS2PDCD1CD274DPP4L3MBTL1 | |
| SCHEMBL5721424 | 0.82 | CA12 (0.31) | — | |
| SCHEMBL5721694 | 0.82 | PDCD1 (0.31) | ALDH1A1HSD17B10CYP2A6CYP2B6PDCD1 | |
| SCHEMBL5721535 | 0.82 | CYP2A6 (0.30) | ALDH1A1HSD17B10CYP2A6CYP2B6 | |
| SCHEMBL5721525 | 0.80 | — | — | |
| SCHEMBL5721325 | 0.80 | PDCD1 (0.33) | PDCD1CD274 |
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 |