Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6068626 | 0.81 | DDB1 (0.56) | KDM4EALDH1A1TSHRPLD1DDB1 | |
| SCHEMBL92331 | 0.76 | L3MBTL1 (0.56) | ALDH1A1TSHRHIF1AMAPTDDB1 | |
| SCHEMBL14993193 | 0.75 | ALDH1A1 (0.53) | KDM4EALDH1A1CDK4CDK6MAPT | |
| Hydrochloric Acid SCHEMBL8150892 | 0.75 | ALOX15 (0.50) | CDK4CDK6F10 | |
| Hydrochloric Acid SCHEMBL4768580 | 0.75 | L3MBTL1 (0.54) | ALDH1A1TSHRHIF1AMAPTDDB1 | |
| Bromide SCHEMBL28426487 | 0.75 | L3MBTL1 (0.54) | ALDH1A1TSHRHIF1AMAPTDDB1 | |
| SCHEMBL17456024 | 0.74 | CXCR4 (0.38) | KDM4EALDH1A1CYP3A4CDK4CDK6 | |
| Hydrochloric Acid SCHEMBL1306753 | 0.74 | ALDH1A1 (0.52) | KDM4EALDH1A1CDK4CDK6MAPT | |
| SCHEMBL22230381 | 0.72 | F10 (0.38) | CDK4CDK6F10 | |
| SCHEMBL5337457 | 0.72 | JAK2 (0.34) | F10POLBSMN1; SMN2 |
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-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 |