Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16279674 | 0.88 | PTGS2 (0.39) | PTGS2KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL10906528 | 0.84 | TLR8 (0.43) | PTGS2ALDH1A1KDM4EMAPTMAOA | |
| SCHEMBL10908538 | 0.82 | PTGS2 (0.42) | PTGS2TLR8 | |
| SCHEMBL31596151 | 0.82 | PTGS2 (0.42) | PTGS2TLR8 | |
| SCHEMBL10909807 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 | |
| SCHEMBL10909016 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 | |
| SCHEMBL10906598 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 | |
| SCHEMBL10909939 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 | |
| SCHEMBL10909011 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 | |
| SCHEMBL10909177 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4631143-A | Triphenylene derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-12-23 | — | — | US | disclosed |