Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 3/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 3/20 | 0.33 |
| ▸ | RARB | P10826 | 3/20 | 0.33 |
| ▸ | RARG | P13631 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.31 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26963857 | 0.94 | ALDH1A1 (0.41) | ALDH1A1ALOX15CES2CES1 | |
| SCHEMBL29941009 | 0.94 | ALDH1A1 (0.41) | ALDH1A1ALOX15CES2CES1 | |
| SCHEMBL28878096 | 0.92 | XDH (0.37) | ALDH1A1ALOX15XDHSLC22A12RARA | |
| SCHEMBL1339952 | 0.78 | XDH (0.37) | XDHSLC22A12RARARARBRARG | |
| SCHEMBL29608493 | 0.77 | KCNA3 (0.40) | CES2CES1 | |
| SCHEMBL21950946 | 0.77 | KCNA3 (0.40) | CES2CES1 | |
| SCHEMBL25403991 | 0.75 | ALDH1A1 (0.41) | ALDH1A1RARARARBRARGTSHR | |
| SCHEMBL31347699 | 0.75 | ALDH1A1 (0.41) | ALDH1A1RARARARBRARGTSHR | |
| SCHEMBL28878040 | 0.75 | KMT2A (0.38) | ALDH1A1ALOX15RARARARBRARG | |
| SCHEMBL28878059 | 0.73 | ABL1 (0.38) | ALDH1A1TSHRCASP1SMN1; SMN2CES2 |
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-115260180-B | Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115260180-A | Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |