Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 6/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5270727 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5268724 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5267770 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5268827 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5346419 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5270167 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5272240 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5269819 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5268722 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA | |
| SCHEMBL5268123 | 0.98 | PTGS2 (0.41) | PTGS2CYP3A4THRBGPR84MAOA |
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-1843407-A1 | Liquid crystalline rylenetetracarboxylic acid derivatives and their use | BASF AKTIENGESELLSCHAFT (DE) | 2007-10-10 | — | — | EP | disclosed |