Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.96 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| Chloramben SCHEMBL117283 | 0.98 | CYP3A4 (1.00) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL55091 | 0.98 | CYP3A4 (1.00) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL29448826 | 0.98 | CYP3A4 (1.00) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL164009 | 0.96 | CYP3A4 (0.96) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL11298879 | 0.96 | CYP3A4 (0.96) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL11629597 | 0.96 | CYP3A4 (0.96) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL163142 | 0.94 | CYP3A4 (0.92) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL11010427 | 0.90 | CYP3A4 (0.85) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| 3,5-Dichloroanthranilic Acid SCHEMBL6036778 | 0.87 | CYP3A4 (0.79) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 | |
| Chloramben SCHEMBL22042184 | 0.83 | CYP3A4 (0.72) | CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023099381-A1 | (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXYTHIO ALKYL ACIDS AND DERIVATIVES THEREOF, THEIR SALTS AND THEIR USE AS HERBICIDAL ACTIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-08 | — | — | WO | disclosed |
| EP-0719244-A1 | PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995007877-A1 | PROCESS OF PREPARING 2,3,5-TRIHALOBENZALDEHYDE | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-03-23 | — | — | WO | disclosed |