Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL668628 | 0.76 | ABCB1 (0.46) | CYP2C19CYP3A4CYP2C9HTT | |
| SCHEMBL3029986 | 0.75 | GPBAR1 (0.43) | GPBAR1S1PR2CYP2C19MEN1KMT2A | |
| SCHEMBL8167107 | 0.74 | CES2 (0.45) | HTTALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL9341943 | 0.74 | TSHR (0.48) | HSP90AA1HSP90AB1CYP2C19MEN1KMT2A | |
| SCHEMBL9825357 | 0.72 | PARP1 (0.53) | CYP2C19MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL24198694 | 0.71 | S1PR2 (0.42) | GPBAR1S1PR2CYP2C19MEN1KMT2A | |
| SCHEMBL418096 | 0.69 | POLB (0.53) | CYP2C19KMT2ACYP3A4CYP2C9ALDH1A1 | |
| Benzoyl Chloride SCHEMBL8179778 | 0.69 | ACLY (0.40) | GPBAR1CYP2C19MEN1KMT2ACYP3A4 | |
| SCHEMBL1367620 | 0.69 | MLYCD (0.41) | GPBAR1S1PR2CYP2C19MEN1KMT2A | |
| SCHEMBL8082069 | 0.68 | POLB (0.71) | CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000026423-A | ISONICOTINOYLHYDRAZINE DERIVATIVE AND INSECT PEST CONTROLLING AGENT CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT | OTSUKA CHEM CO LTD | 2000-01-25 | — | — | JP | disclosed |