Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13311313 | 0.90 | GLS (0.43) | GLSCYP2D6SRCLMNAMAPK1 | |
| SCHEMBL17724542 | 0.87 | PPARA (0.47) | CYP2D6SRCLMNAPPARAALDH1A1 | |
| SCHEMBL8084866 | 0.87 | PPARA (0.47) | CYP2D6SRCLMNAPPARAALDH1A1 | |
| SCHEMBL21644503 | 0.85 | GLS (0.48) | GLSCYP2D6LMNAMAPK1ALDH1A1 | |
| SCHEMBL3700346 | 0.84 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1PPARA | |
| SCHEMBL3128257 | 0.84 | CYP2D6 (0.46) | CYP2D6SRCLMNAMAPK1PPARA | |
| SCHEMBL8203506 | 0.84 | ALDH1A1 (0.56) | GLSLMNAALDH1A1CYP3A4GAA | |
| SCHEMBL28718324 | 0.83 | CYP2D6 (0.42) | GLSCYP2D6SRCLMNAMAPK1 | |
| SCHEMBL27961303 | 0.83 | PPARA (0.43) | CYP2D6SRCLMNAMAPK1PPARA | |
| SCHEMBL28582183 | 0.82 | GLS (0.46) | GLSCYP2D6LMNAPPARAALDH1A1 |
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 2 patents. 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 |
| CN-203825368-U | Thin film device for corrosion inhibitor layer | MITSUBISHI PAPER MILLS LTD | 2014-09-10 | — | — | CN | disclosed |