Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30686034 | 1.00 | CYP1A2 (0.35) | CYP1A2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL28528902 | 0.82 | MAPT (0.38) | CYP1A2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL30686055 | 0.82 | MAPT (0.38) | CYP1A2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL30686017 | 0.81 | POLB (0.40) | CYP1A2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL28520291 | 0.81 | POLB (0.40) | CYP1A2TDP1ALDH1A1HTTPOLB | |
| SCHEMBL30686035 | 0.77 | MEN1 (0.49) | CYP1A2TDP1ALDH1A1MAPTLMNA | |
| SCHEMBL28528562 | 0.77 | MEN1 (0.49) | CYP1A2TDP1ALDH1A1MAPTLMNA | |
| SCHEMBL30686029 | 0.77 | POLB (0.59) | ALDH1A1POLBMAPTNPSR1KDM4E | |
| SCHEMBL28908061 | 0.77 | POLB (0.59) | ALDH1A1POLBMAPTNPSR1KDM4E | |
| SCHEMBL28521545 | 0.68 | GAA (0.35) | TDP1ALDH1A1HTTMAPTKDM4E |
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 |