Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 3/20 | 0.46 |
| ▸ | GCK | P35557 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL2174904 | 0.77 | HTR7 (0.46) | HTR7GCKSCN9AERBB2ACVRL1 | |
| SCHEMBL2174129 | 0.74 | SCN9A (0.51) | SCN9AERBB2FGFR2KCNH2SCN5A | |
| SCHEMBL31580872 | 0.73 | BRAF (0.48) | GCKSCN9AERBB2ACVRL1HTT | |
| SCHEMBL2190249 | 0.72 | HTR7 (0.42) | HTR7GCKSCN9AERBB2ACVRL1 | |
| SCHEMBL30046984 | 0.70 | KDR (0.54) | SCN9AERBB2SCN5AHTTALDH1A1 | |
| SCHEMBL14435643 | 0.70 | LTA4H (0.63) | SCN9AERBB2SCN5AHTTALDH1A1 | |
| SCHEMBL17948198 | 0.70 | LTA4H (0.63) | SCN9AERBB2SCN5AHTTALDH1A1 | |
| SCHEMBL24178149 | 0.70 | — | — | |
| SCHEMBL18657532 | 0.69 | ALDH1A1 (0.67) | SCN9AERBB2SCN5AALDH1A1HPGD | |
| SCHEMBL29066282 | 0.69 | ACVRL1 (0.61) | ACVRL1MAPKAPK2ALDH1A1ALOX12KDM4E |
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-2011079343-A2 | SUBSTITUTED PYRIDINES AND PYRIMIDINES | TECHNISCHE UNIVERSITAET WIEN (AT) | 2011-07-07 | — | — | WO | disclosed |