Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4456451 | 0.84 | LDHA (0.73) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL13742814 | 0.84 | LDHA (0.62) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL1371092 | 0.84 | LDHA (0.73) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL8953524 | 0.84 | LDHA (0.73) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL2817931 | 0.84 | LDHA (0.73) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL1587128 | 0.82 | LDHA (0.61) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL933857 | 0.82 | LDHA (0.61) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL1587131 | 0.82 | LDHA (0.61) | LDHASLC6A4POLBCYP2C19CYP1A2 | |
| SCHEMBL8591433 | 0.82 | LDHA (0.61) | LDHASLC6A4POLBALDH1A1PPARG | |
| SCHEMBL3357448 | 0.82 | LDHA (0.61) | LDHASLC6A4POLBCYP2C19CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011051671-A1 | AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS | VANTIA LIMITED (GB) | 2011-05-05 | — | — | WO | disclosed |
| WO-2009135526-A1 | ALPHA-MERCAPTO-AMIDES | NOVARTIS AG (CH) | 2009-11-12 | — | — | WO | disclosed |