Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PDCD1LG2 | Q9BQ51 | 2/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.31 |
| ▸ | IDH1 | O75874 | 2/20 | 0.30 |
| ▸ | IDH2 | P48735 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971895 | 0.77 | CYP3A4 (0.36) | CYP3A4TSHRGSK3BPDCD1LG2CD274 | |
| SCHEMBL7969462 | 0.75 | HSD17B14 (0.34) | CYP3A4TSHRPDCD1LG2CD274IDH1 | |
| SCHEMBL7971525 | 0.68 | CYP3A4 (0.38) | CYP3A4TSHRGSK3BIDH1IDH2 | |
| SCHEMBL7971991 | 0.68 | KMO (0.38) | CYP3A4TSHRGSK3BIDH1IDH2 | |
| SCHEMBL7958260 | 0.68 | GPBAR1 (0.36) | CYP3A4TSHRGSK3BALDH1A1JAK2 | |
| SCHEMBL1312475 | 0.68 | MAPK1 (0.36) | CYP3A4TSHR | |
| SCHEMBL38666057 | 0.67 | HSP90AA1 (0.52) | CYP3A4TSHRALDH1A1 | |
| SCHEMBL30492599 | 0.67 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1IDH1IDH2 | |
| SCHEMBL1071454 | 0.67 | CYP3A4 (0.50) | CYP3A4TSHRALDH1A1IDH1IDH2 | |
| SCHEMBL7968303 | 0.66 | SCN9A (0.36) | CYP3A4TSHRGSK3BALDH1A1IDH1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001017965-A2 | CYANOPIPERIDINES AS PESTICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2001-03-15 | — | — | WO | disclosed |