Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KYAT1 | Q16773 | 6/20 | 0.58 |
| ▸ | GAA | P10253 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29290439 | 0.86 | GAA (0.56) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL15619280 | 0.83 | KYAT1 (0.83) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL15619282 | 0.83 | KYAT1 (0.83) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL10572965 | 0.82 | GAA (0.60) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL23367248 | 0.78 | GAA (0.59) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL23354676 | 0.78 | GAA (0.59) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL23354674 | 0.78 | GAA (0.59) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL13901608 | 0.76 | GAA (0.63) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL10141247 | 0.76 | GAA (0.63) | KYAT1GAALMNANPSR1ALDH1A1 | |
| SCHEMBL5253476 | 0.76 | GAA (0.63) | KYAT1GAALMNANPSR1ALDH1A1 |
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 |