Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1596034 | 0.90 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1KDM4EPARP1 | |
| Hydrochloric Acid SCHEMBL20745829 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1KDM4EPARP1 | |
| Trifluoroacetic Acid SCHEMBL28710666 | 0.88 | PKM (0.37) | ALDH1A1MAPTKMT2AMEN1KDM4E | |
| SCHEMBL20528090 | 0.84 | MGLL (0.33) | ALDH1A1KMT2AMEN1HSD17B10CYP1A2 | |
| SCHEMBL15432724 | 0.84 | MGLL (0.33) | ALDH1A1KMT2AMEN1HSD17B10CYP1A2 | |
| SCHEMBL1583265 | 0.81 | MEN1 (0.49) | ALDH1A1KMT2AMEN1KDM4EL3MBTL1 | |
| SCHEMBL20793304 | 0.80 | ACHE (0.36) | ALDH1A1KMT2AMEN1KDM4EHSD17B10 | |
| SCHEMBL5337457 | 0.80 | JAK2 (0.34) | — | |
| Bromide SCHEMBL28431073 | 0.79 | MEN1 (0.47) | ALDH1A1KMT2AMEN1KDM4EL3MBTL1 | |
| SCHEMBL161338 | 0.79 | MEN1 (0.43) | ALDH1A1MAPTKMT2AMEN1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115703765-B | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |