Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL433550 | 0.81 | KMO (0.36) | GPR3GRM2HSD11B1EGLN2S100A4 | |
| SCHEMBL434491 | 0.81 | AHR (0.42) | GPR3HSD11B1S100A4 | |
| SCHEMBL435274 | 0.81 | GPR3 (0.40) | GPR3GRM2CYP2A6 | |
| SCHEMBL5321814 | 0.79 | GRM2 (0.37) | GPR3GRM2PDK2CYP2A6 | |
| SCHEMBL435603 | 0.79 | KMO (0.35) | GPR3GRM2HSD11B1EGLN2S100A4 | |
| SCHEMBL9856911 | 0.78 | PTPN1 (0.40) | S100A4CYP2A6 | |
| SCHEMBL3735142 | 0.77 | MEN1 (0.37) | PDK2 | |
| SCHEMBL335714 | 0.77 | MEN1 (0.37) | GPR3 | |
| SCHEMBL7662388 | 0.76 | CTSL (0.36) | — | |
| SCHEMBL433432 | 0.75 | GRM2 (0.38) | GPR3GRM2HSD11B1EGLN2S100A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117295726-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2023-12-26 | — | — | CN | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |