Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | GLS | O94925 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30831444 | 0.89 | ALDH1A1 (0.55) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL3645465 | 0.83 | KDM4E (0.62) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL109617 | 0.83 | LTA4H (0.59) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL1898560 | 0.81 | LTA4H (0.56) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL11941565 | 0.81 | ALDH1A1 (0.77) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL3646083 | 0.81 | KDM4E (0.62) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL14987027 | 0.81 | KDM4E (0.62) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL14578276 | 0.80 | ALDH1A1 (0.69) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| SCHEMBL4629303 | 0.79 | KDM4E (0.67) | KDM4ETSHRTP53LTA4HALDH1A1 | |
| Hydrochloric Acid SCHEMBL980503 | 0.78 | KDM4E (0.65) | KDM4ETSHRTP53LTA4HALDH1A1 |
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-2782570-B1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC (US) | 2019-09-18 | — | — | EP | disclosed |