Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.62 |
| ▸ | GAA | P10253 | 9/20 | 0.62 |
| ▸ | TAS2R38 | P59533 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | TYR | P14679 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL163118 | 0.86 | ALDH1A1 (0.61) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| Fluoride SCHEMBL31633802 | 0.84 | ALDH1A1 (0.59) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| Methyl Alcohol SCHEMBL28274485 | 0.83 | ALDH1A1 (0.61) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| SCHEMBL9800314 | 0.78 | ALOX5 (0.52) | ALDH1A1GAATSHRTP53MAPT | |
| SCHEMBL10794044 | 0.77 | GAA (1.00) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| Methane SCHEMBL28443303 | 0.77 | ALDH1A1 (0.48) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| SCHEMBL3635635 | 0.77 | GAA (0.55) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| SCHEMBL21764766 | 0.75 | ALDH1A1 (0.79) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| Glycine SCHEMBL28995067 | 0.75 | GAA (0.49) | ALDH1A1GAATAS2R38HSD17B10TSHR | |
| Phenylhydrazine SCHEMBL28922432 | 0.75 | TDP1 (0.50) | ALDH1A1GAATAS2R38HSD17B10TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113149917-A | Preparation method of triazine compound | 浙江工业大学 | 2021-07-23 | — | — | CN | claimed |
| CN-113149917-B | Preparation method of triazine compound | 浙江工业大学 | 2023-01-10 | — | — | CN | disclosed |