Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.62 |
| ▸ | CYP2A6 | P11509 | 8/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9109284 | 1.00 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| Benzene SCHEMBL15456827 | 1.00 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL30032 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL28181896 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL31635952 | 0.98 | PTGS2 (0.64) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| Pyridine SCHEMBL28158558 | 0.96 | PTGS2 (0.59) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL1323698 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL16026628 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL1777671 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL16026793 | 0.96 | PTGS2 (0.62) | PTGS2CYP2A6CYP3A4ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108456311-B | Double-terpyridyl bimetallic polymer and preparation method thereof | 中南大学 | 2020-07-03 | — | — | CN | disclosed |