Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | TLR4 | O00206 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18360420 | 1.00 | BTK (0.60) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL19719164 | 1.00 | BTK (0.60) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL18338559 | 1.00 | BTK (0.60) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL18338558 | 1.00 | BTK (0.60) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL14169340 | 0.93 | ALDH1A1 (0.58) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL20625306 | 0.92 | ALDH1A1 (0.58) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL31333590 | 0.91 | ALDH1A1 (0.56) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL31333924 | 0.91 | ALDH1A1 (0.56) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL2670623 | 0.90 | KMT2A (0.63) | BTKKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL6370475 | 0.90 | KMT2A (0.63) | BTKKMT2AL3MBTL1ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3539961-A1 | POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS | Astrazeneca AB (SE) | 2019-09-18 | — | — | EP | disclosed |