Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9026186 | 0.80 | MAPK1 (0.43) | HTTALDH1A1 | |
| SCHEMBL9027066 | 0.79 | CCNA2 (0.35) | — | |
| SCHEMBL2689365 | 0.76 | SMN1; SMN2 (0.41) | CYP2A6CYP2E1CYP3A4IDO1TDO2 | |
| SCHEMBL25823001 | 0.73 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4GRM1HTT | |
| SCHEMBL18949738 | 0.72 | TSHR (0.49) | CYP2A6CYP2E1CYP3A4GRM1CYP11B2 | |
| SCHEMBL1782752 | 0.72 | IDO1 (0.41) | CYP2A6CYP2E1CYP3A4IDO1TDO2 | |
| SCHEMBL13740923 | 0.70 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4GRM1CYP11B2 | |
| SCHEMBL12335152 | 0.70 | SMN1; SMN2 (0.57) | CYP2A6CYP2E1CYP3A4IDO1TDO2 | |
| SCHEMBL9026635 | 0.70 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4GRM1CYP11B2 | |
| SCHEMBL15768639 | 0.70 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP3A4GRM1ALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5220028-A | Halogeno-4-methylpyrazoles | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-15 | — | — | US | claimed |
| EP-0366329-B1 | Halogeno-4-methylpyrazoles and process for preparing the same | NISSAN CHEMICAL IND LTD (JP) | 1996-03-20 | — | — | EP | disclosed |
| US-5220028-A | Halogeno-4-methylpyrazoles | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-15 | — | — | US | disclosed |