Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| SCHEMBL6805641 | 0.89 | CYP3A4 (0.47) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL5495096 | 0.84 | CYP4F2 (0.44) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL11556928 | 0.82 | MAPK1 (0.43) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL1357859 | 0.82 | GRIN2D (0.47) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL28780514 | 0.82 | MIF (0.50) | CYP3A4TDP1CYP1A2TRPA1NOS1 | |
| SCHEMBL29854874 | 0.81 | CYP3A4 (0.57) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL387552 | 0.81 | CYP3A4 (0.57) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL9799010 | 0.81 | SIGMAR1 (0.41) | CYP3A4TSHRTDP1MAPK1SIGMAR1 | |
| SCHEMBL9178534 | 0.81 | MIF (0.42) | CYP3A4TSHRTDP1MAPK1CYP1A2 | |
| SCHEMBL18403136 | 0.79 | TDP1 (0.46) | TDP1NOS1CHRNA7MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103923078-A | 3,4-disubstituted(1H-pyrazole[3,4-b]pyridine) compound and use thereof | UNIV EAST CHINA SCIENCE & TECH | 2014-07-16 | — | — | CN | disclosed |