Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6727078 | 0.78 | LMNA (0.49) | ALDH1A1LMNAMAPTCYP3A4BLM | |
| SCHEMBL3071602 | 0.78 | ALDH1A1 (0.62) | ALDH1A1LMNAMAPTCYP3A4BLM | |
| SCHEMBL7930489 | 0.78 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTCYP3A4BLM | |
| SCHEMBL4895836 | 0.73 | GPR35 (0.53) | ALDH1A1MAPTPMP22CYP1A2KMT2A | |
| SCHEMBL118278 | 0.73 | GPR35 (0.53) | ALDH1A1MAPTPMP22CYP1A2KMT2A | |
| SCHEMBL4638682 | 0.73 | ALDH1A1 (0.55) | ALDH1A1LMNAMAPTCYP3A4BLM | |
| Dinitolmide SCHEMBL43712 | 0.72 | ALDH1A1 (0.68) | ALDH1A1LMNAMAPTCYP3A4PMP22 | |
| Dinitolmide SCHEMBL29360311 | 0.72 | ALDH1A1 (0.68) | ALDH1A1LMNAMAPTCYP3A4PMP22 | |
| SCHEMBL29632188 | 0.72 | LMNA (0.46) | ALDH1A1LMNAMAPTCYP3A4BLM | |
| SCHEMBL31558125 | 0.72 | ALDH1A1 (0.58) | ALDH1A1LMNAMAPTCYP3A4BLM |
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-112409332-B | Triazole derivative and application thereof in medicines | 广东东阳光药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-112409332-A | Triazole derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |