Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
| ▸ | BAX | Q07812 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24710880 | 0.98 | LTA4H (0.60) | LTA4HTSHRNR1H2BAXMAOA | |
| Diphenylether SCHEMBL28210066 | 0.85 | LTA4H (0.71) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL7017341 | 0.85 | ATM (0.64) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL9242002 | 0.82 | LMNA (0.39) | ATMLMNATDP1 | |
| SCHEMBL168543 | 0.81 | LMNA (0.55) | MAOACA1CA2LMNACA9 | |
| Diphenylether SCHEMBL27916363 | 0.80 | LTA4H (0.63) | LTA4HTSHRNR1H2BAXMAOA | |
| SCHEMBL11396596 | 0.79 | LTA4H (0.54) | LTA4HCYP11B1CYP11B2CA1CA2 | |
| SCHEMBL8737455 | 0.79 | TEAD4 (0.52) | ATMCYP19A1TDP1SCN5ASCN9A | |
| SCHEMBL178154 | 0.79 | ALDH1A1 (0.64) | TSHRMAOATDP1PARP10 | |
| SCHEMBL27761280 | 0.79 | SOS1 (0.48) | SOS1CA1CA2CYP19A1SCN5A |
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-103814016-B | Compositions and methods for producing pyrimidine and pyridine compounds having BTK inhibitory activity | 默克专利有限公司 | 2017-03-08 | — | — | CN | disclosed |