Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15435392 | 0.84 | CTNNB1 (0.43) | CYP3A4MAPTCYP1A2NPSR1CTNNB1 | |
| SCHEMBL24649587 | 0.82 | CYP3A4 (0.54) | CYP3A4MAPTCYP1A2XDHALDH1A1 | |
| SCHEMBL2558845 | 0.81 | SLC6A4 (0.37) | CYP3A4MAPTCYP1A2NPSR1CTNNB1 | |
| SCHEMBL22657885 | 0.79 | FAAH (0.45) | CYP1A2NPSR1CTNNB1WNT3APIK3CA | |
| SCHEMBL30367930 | 0.79 | CYP3A4 (0.51) | CYP3A4MAPTCYP1A2XDHALDH1A1 | |
| SCHEMBL14482492 | 0.78 | CYP3A4 (0.50) | CYP3A4MAPTCYP1A2XDHALDH1A1 | |
| SCHEMBL2537768 | 0.77 | CYP19A1 (0.43) | NPSR1CTNNB1WNT3APIK3CAPIK3CG | |
| SCHEMBL28474737 | 0.77 | CYP3A4 (0.49) | CYP3A4MAPTCYP1A2XDHALDH1A1 | |
| SCHEMBL26026103 | 0.77 | NOS2 (0.41) | NPSR1CTNNB1WNT3APIK3CAPIK3CG | |
| SCHEMBL2663369 | 0.76 | CTNNB1 (0.41) | NPSR1CTNNB1WNT3APIK3CAPIK3CG |
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-2002012236-A1 | SUBSTITUTED TRIAZOLOPYRID(AZ)INES AS PLANT TREATMENT AGENTS (HERBICIDES) | BAYER CROPSCIENCE AG (DE) | 2002-02-14 | — | — | WO | disclosed |