Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31469856 | 0.78 | CASP6 (0.54) | PDK1TSHR | |
| SCHEMBL13983035 | 0.78 | ALDH1A1 (0.53) | CA12TSHRCYP3A4KAT2BALDH1A1 | |
| SCHEMBL16961286 | 0.75 | PDK1 (0.51) | CYP1A2SNCAPDK1TSHRCYP3A4 | |
| SCHEMBL7534585 | 0.74 | CYP1A2 (0.40) | CYP1A2SNCAPDK1TSHRCYP3A4 | |
| SCHEMBL7530158 | 0.74 | CYP1A2 (0.40) | GRIA2CYP1A2CA12SNCAPDK1 | |
| SCHEMBL28531178 | 0.74 | CYP1A2 (0.44) | CYP1A2CA12SNCAPDK1TSHR | |
| SCHEMBL28045528 | 0.73 | KDM4E (0.37) | CYP1A2TSHRCYP3A4MCL1ALDH1A1 | |
| SCHEMBL16961402 | 0.72 | PDK1 (0.42) | CYP1A2SNCAPDK1TSHRCYP3A4 | |
| SCHEMBL27897142 | 0.72 | CYP1A2 (0.39) | GRIA2CYP1A2CA12SNCAPDK1 | |
| SCHEMBL28064303 | 0.70 | CYP1A2 (0.37) | GRIA2CYP1A2CA12SNCAPDK1 |
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-105101970-A | Beta-lactamase inhibitors | VENATORX PHARMACEUTICALS INC | 2015-11-25 | — | — | CN | disclosed |