Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | HTT | P42858 | 1/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | UBE2N | P61088 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL17556037 | 0.87 | MEN1 (0.73) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL28335162 | 0.86 | ALDH1A1 (0.60) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL25078375 | 0.86 | CYP2C9 (0.68) | ALDH1A1HTTKDM4EHPGDMEN1 | |
| SCHEMBL25078658 | 0.83 | MAPK1 (0.63) | ALDH1A1HTTKDM4EHPGDMEN1 | |
| SCHEMBL11391965 | 0.81 | MAPK1 (0.70) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL13741611 | 0.81 | KDM4E (0.64) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL30023183 | 0.80 | KMT2A (0.71) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL4038334 | 0.77 | ALDH1A1 (0.74) | ALDH1A1HTTKDM4EHSD17B10HPGD | |
| SCHEMBL30560794 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HTTKDM4EMEN1KMT2A | |
| SCHEMBL10479490 | 0.76 | ALDH1A1 (0.58) | ALDH1A1HTTKDM4EHSD17B10HPGD |
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-110684013-A | 4-phenoxypyridine derivatives containing 3-pyridazinone, 4-pyridazinone and 1,2, 4-triazinone structures and application thereof | 辽宁大学 | 2020-01-14 | — | — | CN | disclosed |