Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 9/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 9/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 2/20 | 0.31 |
| ▸ | IDH2 | P48735 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7971991 | 0.83 | KMO (0.38) | CYP3A4TSHRGSK3BGPBAR1IDH1 | |
| SCHEMBL7974715 | 0.77 | CYP3A4 (0.34) | CYP3A4TSHRPDCD1LG2CD274GSK3B | |
| SCHEMBL7958260 | 0.77 | GPBAR1 (0.36) | CYP3A4TSHRGSK3BGPBAR1JAK2 | |
| SCHEMBL7968303 | 0.74 | SCN9A (0.36) | CYP3A4TSHRGSK3BGPBAR1IDH1 | |
| SCHEMBL31264008 | 0.74 | SLC6A2 (0.46) | IDH1IDH2L3MBTL1 | |
| SCHEMBL7969127 | 0.73 | KDM4E (0.36) | CYP3A4TSHRIDH1IDH2JAK2 | |
| SCHEMBL7971714 | 0.72 | CA1 (0.36) | TGFBR1IDH1IDH2L3MBTL1 | |
| SCHEMBL104772 | 0.72 | CYP3A4 (0.32) | CYP3A4TSHR | |
| SCHEMBL7968051 | 0.71 | HSP90AA1 (0.44) | L3MBTL1 | |
| SCHEMBL11393405 | 0.71 | CYP2A6 (0.45) | — |
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 |