Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5054937 | 0.92 | ALDH1A1 (0.60) | ALDH1A1ACHEGAALMNAHTT | |
| SCHEMBL8035378 | 0.85 | ALDH1A1 (0.59) | ALDH1A1ACHEGAALMNAHTT | |
| SCHEMBL5055339 | 0.85 | ALDH1A1 (0.58) | ALDH1A1GAALMNAHTTSMN1; SMN2 | |
| SCHEMBL28391516 | 0.83 | ESR2 (0.53) | ALDH1A1GAALMNAHTTMAPT | |
| SCHEMBL11574682 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ACHEGAALMNAHTT | |
| SCHEMBL9447402 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ACHEGAALMNAHTT | |
| SCHEMBL8035348 | 0.78 | GAA (0.58) | ALDH1A1GAALMNAHTTSMN1; SMN2 | |
| SCHEMBL29031385 | 0.78 | ALDH1A1 (0.55) | ALDH1A1GAALMNAHTTSMN1; SMN2 | |
| SCHEMBL16865571 | 0.77 | ACHE (0.71) | ALDH1A1ACHESMN1; SMN2TDP1RELA | |
| SCHEMBL13317344 | 0.77 | ACHE (0.71) | ALDH1A1ACHESMN1; SMN2TDP1RELA |
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-116003336-A | 1,2, 4-triazole-3-amine compound, and preparation method and application thereof | 赣南师范大学 | 2023-04-25 | — | — | CN | disclosed |
| WO-2016093175-A1 | METHOD FOR PRODUCING TRI(HETERO)ARYLACETONITRILE COMPOUND | 国立大学法人名古屋大学 | 2016-06-16 | — | — | WO | disclosed |