Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23121413 | 0.85 | KIF11 (0.42) | KIF11CYP2D6CYP2C9SLC22A12CYP11B1 | |
| SCHEMBL8401425 | 0.82 | KIF11 (0.36) | KIF11ERN1 | |
| SCHEMBL2457908 | 0.80 | KIF11 (0.44) | KIF11CYP2D6CYP2C9ERN1SLC22A12 | |
| SCHEMBL8404988 | 0.79 | ALDH1A1 (0.38) | KIF11EPAS1 | |
| SCHEMBL2009048 | 0.79 | CYP2C9 (0.36) | CYP2D6CYP2C9ERN1EPAS1 | |
| SCHEMBL7926449 | 0.77 | KIF11 (0.42) | KIF11CYP2D6CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL2952070 | 0.77 | KIF11 (0.39) | KIF11CYP2D6CYP2C9ERN1 | |
| SCHEMBL9340547 | 0.76 | CYP2C9 (0.46) | KIF11CYP2D6CYP2C9ERN1SLC22A12 | |
| SCHEMBL163605 | 0.76 | SLC22A12 (0.41) | KIF11CYP2D6CYP2C9ERN1SLC22A12 | |
| SCHEMBL7272215 | 0.74 | KIF11 (0.43) | KIF11CYP2D6CYP2C9ERN1SLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| US-5977414-A | 2,3-Dihalogeno-6-trifluoromethylbenzene derivatives and processes for the preparation thereof | NIPPON SODA CO., LTD. (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0881207-A1 | 2,3-DIHALOGENO-6-TRIFLUOROMETHYLBENZENE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | NIPPON SODA CO., LTD. (JP) | 1998-12-02 | — | — | EP | disclosed |