Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 7/20 | 0.40 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3628103 | 0.88 | KDM4E (0.46) | ALDH1A1KDM4ETSHRMAPTHPGD | |
| SCHEMBL28322785 | 0.87 | LMNA (0.46) | PARP1GAA | |
| SCHEMBL29263958 | 0.84 | CA2 (0.46) | CA2ALDH1A1TSHRMAPTGABRA1 | |
| SCHEMBL273494 | 0.82 | ALOX15 (0.47) | CA2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL1434698 | 0.82 | CA2 (0.45) | CA2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL29678146 | 0.82 | ALOX15 (0.47) | CA2ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL1002129 | 0.82 | ALDH1A1 (0.50) | CA2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL220621 | 0.81 | CA2 (0.41) | CA2ALDH1A1KDM4ETSHRMAPT | |
| SCHEMBL22023652 | 0.81 | PARP1 (0.42) | ALDH1A1KDM4ETSHRMAPTHPGD | |
| SCHEMBL8351072 | 0.81 | CA2 (0.43) | CA2ALDH1A1KDM4ETSHRMAPT |
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-104619696-A | Bruton's tyrosine kinase inhibitors | HOFFMANN LA ROCHE | 2015-05-13 | — | — | CN | disclosed |