Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 5/20 | 0.35 |
| ▸ | AXL | P30530 | 2/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | SGK1 | O00141 | 1/20 | 0.31 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23459491 | 1.00 | NEK1 (0.35) | NEK1AXLRPS6KA5KDM4EALDH1A1 | |
| SCHEMBL29997419 | 0.89 | RPS6KA5 (0.34) | RPS6KA5CAMKK2 | |
| SCHEMBL23459790 | 0.89 | RPS6KA5 (0.34) | RPS6KA5CAMKK2 | |
| SCHEMBL23460109 | 0.75 | KDM4E (0.37) | AXLKDM4EALDH1A1GLAGAA | |
| SCHEMBL23485570 | 0.69 | MAPT (0.35) | KDM4EALDH1A1HPGDHSD17B10RET | |
| SCHEMBL23459610 | 0.68 | MAPT (0.34) | HSD17B10RET | |
| SCHEMBL23459458 | 0.65 | ROCK1 (0.33) | RPS6KA5 | |
| SCHEMBL21713015 | 0.65 | MAP2K1 (0.59) | NEK1AXLKDM4EALDH1A1GLA | |
| SCHEMBL23485549 | 0.64 | GPR35 (0.32) | — | |
| SCHEMBL23459611 | 0.62 | CDC7 (0.41) | KDM4EMAP2K1 |
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-4069369-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-10-12 | — | — | EP | disclosed |