Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | PHGDH | O43175 | 3/20 | 0.38 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.38 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GSDMD | P57764 | 2/20 | 0.38 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056877 | 0.78 | PHGDH (0.37) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| SCHEMBL8775194 | 0.78 | ALDH1A1 (0.42) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| SCHEMBL41118 | 0.77 | — | — | |
| SCHEMBL29665185 | 0.77 | MAPK1 (0.31) | — | |
| Hydrogen Peroxide SCHEMBL139127 | 0.77 | ALDH1A1 (0.36) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| Hydrogen Peroxide SCHEMBL139129 | 0.77 | — | — | |
| SCHEMBL8000107 | 0.75 | ALDH1A1 (0.40) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| SCHEMBL5671521 | 0.75 | ALDH1A1 (0.40) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| SCHEMBL28001733 | 0.75 | ALDH1A1 (0.52) | ALDH1A1PHGDHMGLLEHMT2EHMT1 | |
| Hydrogen Peroxide SCHEMBL4107241 | 0.73 | — | — |
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-103992265-B | Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |