Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 18/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19920381 | 0.88 | GLS (0.59) | GLSALDH1A1TSHR | |
| SCHEMBL19920384 | 0.82 | GLS (0.53) | GLSALDH1A1TSHR | |
| SCHEMBL19920154 | 0.80 | GLS (0.63) | GLSALDH1A1TSHR | |
| SCHEMBL15727706 | 0.70 | GLS (0.73) | GLSALDH1A1TSHR | |
| SCHEMBL15727679 | 0.69 | GLS (0.68) | GLSALDH1A1 | |
| SCHEMBL15748909 | 0.69 | GLS (0.59) | GLS | |
| SCHEMBL15727776 | 0.67 | GLS (0.76) | GLSALDH1A1TSHR | |
| SCHEMBL15727709 | 0.67 | NPC1 (0.69) | GLSALDH1A1 | |
| SCHEMBL15727702 | 0.67 | GLS (0.64) | GLSALDH1A1 | |
| SCHEMBL19920338 | 0.67 | GLS (0.68) | GLSALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9938267-B2 | Heterocyclic inhibitors of glutaminase | CALITHERA BIOSCIENCES, INC. (US) | 2018-04-10 | — | — | US | disclosed |