Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | GSTA1 | P08263 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 5/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8716457 | 0.88 | CYP1A2 (0.53) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL8713756 | 0.85 | HPGD (0.49) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL8713755 | 0.85 | HPGD (0.49) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL8712176 | 0.84 | GSTA1 (0.63) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL27489604 | 0.82 | ALOX15 (0.59) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL27443343 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL8709429 | 0.79 | KMT2A (0.43) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL8709430 | 0.79 | KMT2A (0.43) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL27412364 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2C9HPGDALOX15CASP1 | |
| SCHEMBL27446633 | 0.76 | HPGD (0.51) | CYP1A2CYP2C9HPGDALOX15CASP1 |
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-1097741-A | Pyridine derivate, Preparation Method And The Use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-01-25 | — | — | CN | disclosed |