Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.55 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.55 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | GGT1 | P19440 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3147071 | 0.86 | PTGS2 (0.57) | PTGS2PTGS1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL4557518 | 0.86 | PTGS2 (0.50) | PTGS2PTGS1KDM4EHSD17B10ALDH1A1 | |
| Hydrogen Peroxide SCHEMBL8008634 | 0.85 | KDM4E (0.58) | PTGS2PTGS1KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL8473051 | 0.85 | PTGS2 (0.64) | PTGS2PTGS1KDM4EALDH1A1HPGD | |
| SCHEMBL362211 | 0.85 | PTGS2 (0.64) | PTGS2PTGS1KDM4EALDH1A1HPGD | |
| SCHEMBL7885098 | 0.85 | PTGS2 (0.64) | PTGS2PTGS1KDM4EALDH1A1HPGD | |
| SCHEMBL1345669 | 0.84 | PTGS1 (0.54) | PTGS2PTGS1KDM4ELMNAKMT2A | |
| SCHEMBL3817959 | 0.84 | PTGS1 (0.54) | PTGS2PTGS1KDM4ELMNAKMT2A | |
| SCHEMBL8875079 | 0.84 | PTGS1 (0.54) | PTGS2PTGS1KDM4ELMNAKMT2A | |
| SCHEMBL720572 | 0.82 | KDM4E (0.55) | PTGS2PTGS1KDM4EHSD17B10ALDH1A1 |
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-112939803-A | Preparation process of dihydrooat alkaloid D | 郑州轻工业大学 | 2021-06-11 | — | — | CN | disclosed |