Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | GLS | O94925 | 5/20 | 0.60 |
| ▸ | AURKA | O14965 | 1/20 | 0.56 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629303 | 0.89 | KDM4E (0.67) | KDM4ETP53TSHRGLSROCK1 | |
| Hydrochloric Acid SCHEMBL980503 | 0.88 | KDM4E (0.65) | KDM4ETP53TSHRGLSROCK1 | |
| SCHEMBL12922895 | 0.86 | GLS (0.61) | KDM4ETP53TSHRGLSAURKA | |
| SCHEMBL1395845 | 0.85 | LTA4H (0.61) | KDM4EALDH1A1LTA4HEPHX2SMN1; SMN2 | |
| SCHEMBL7402027 | 0.84 | ALDH1A1 (0.62) | KDM4ETP53TSHRGLSROCK1 | |
| SCHEMBL109617 | 0.83 | LTA4H (0.59) | KDM4ETP53TSHRROCK1ROCK2 | |
| SCHEMBL3645465 | 0.83 | KDM4E (0.62) | KDM4ETP53TSHRGLSROCK1 | |
| SCHEMBL10480077 | 0.82 | KDM4E (0.65) | KDM4ETP53TSHRAURKARPS6KB1 | |
| SCHEMBL14987017 | 0.81 | GLS (0.72) | KDM4ETP53TSHRGLSROCK1 | |
| SCHEMBL1898560 | 0.81 | LTA4H (0.56) | KDM4ETP53TSHRROCK1ROCK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018039442-A1 | TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-01 | — | — | WO | disclosed |
| WO-2016164401-A1 | TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2016160980-A1 | METHODS OF ADMINISTERING GLUTAMINASE INHIBITORS | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-06 | — | — | WO | disclosed |
| WO-2015138902-A1 | COMBINATION THERAPY WITH GLUTAMINASE INHIBITORS | CALITHERA BIOSCIENCES, INC. (US) | 2015-09-17 | — | — | WO | disclosed |
| WO-2013078123-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC. (US) | 2013-05-30 | — | — | WO | disclosed |