Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 11/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.42 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2369495 | 1.00 | S1PR3 (0.51) | S1PR3ARCYP11B1CYP11B2MEN1 | |
| SCHEMBL996704 | 0.85 | MRGPRX4 (0.56) | S1PR3MEN1KMT2AMRGPRX4TSHR | |
| SCHEMBL7662707 | 0.85 | VNN1 (0.45) | S1PR3CYP11B1CYP11B2MEN1APAF1 | |
| SCHEMBL16961084 | 0.84 | S1PR3 (0.47) | S1PR3ARMRGPRX4S1PR1S1PR2 | |
| SCHEMBL2767509 | 0.83 | S1PR3 (0.50) | S1PR3ARCYP11B2MRGPRX4S1PR1 | |
| SCHEMBL1275282 | 0.83 | S1PR3 (0.54) | S1PR3S1PR1S1PR2S1PR4 | |
| SCHEMBL2620548 | 0.81 | CYP2A6 (0.43) | S1PR3KMT2ACYP2A6ALDH1A1 | |
| SCHEMBL10412463 | 0.81 | CYP2A6 (0.43) | S1PR3KMT2ACYP2A6TSHRALDH1A1 | |
| SCHEMBL18724341 | 0.81 | S1PR3 (0.44) | S1PR3ARMRGPRX4S1PR1S1PR2 | |
| SCHEMBL6970906 | 0.81 | PKM (0.46) | CYP11B1CYP11B2MEN1APAF1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119751370-A | Preparation method of fluororalrana | 河北威远药业有限公司 | 2025-04-04 | — | — | CN | claimed |
| CN-117510428-A | Preparation process method of isoxazoline substituted benzamide compound | 中国农业大学 | 2024-02-06 | — | — | CN | claimed |
| CN-119751370-A | Preparation method of fluororalrana | 河北威远药业有限公司 | 2025-04-04 | — | — | CN | disclosed |
| WO-2025003945-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF 4-ACETYL-2-METHYL-BENZONITRILE | HIKAL LIMITED (IN) | 2025-01-02 | — | — | WO | disclosed |
| CN-119019281-A | Preparation method of 4-acetyl-2-methylbenzonitrile | 黑龙江立科新材料有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-117510428-A | Preparation process method of isoxazoline substituted benzamide compound | 中国农业大学 | 2024-02-06 | — | — | CN | disclosed |