Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17629962 | 0.98 | CHEK1 (0.43) | CHEK1ADRA2CLOXL2KAT2BTAAR1 | |
| SCHEMBL17629989 | 0.89 | ADRA2C (0.47) | CHEK1ADRA2CLOXL2KAT2BTAAR1 | |
| SCHEMBL17672979 | 0.86 | SLC6A4 (0.35) | CHEK1ADRA2CLOXL2SLC6A4TTR | |
| SCHEMBL17630178 | 0.83 | CYP11B1 (0.38) | CHEK1SLC6A4TTRALBDRD2 | |
| SCHEMBL17672760 | 0.81 | TTR (0.36) | CHEK1SLC6A4TTRALBDRD2 | |
| SCHEMBL17679304 | 0.80 | TSHR (0.51) | SLC6A4DRD2DRD3 | |
| SCHEMBL17672950 | 0.79 | SLC6A4 (0.35) | SLC6A4TTRALB | |
| SCHEMBL31483664 | 0.79 | MEN1 (0.43) | TTRALBDRD2DRD3 | |
| SCHEMBL17643416 | 0.79 | MEN1 (0.43) | TTRALBDRD2DRD3 | |
| SCHEMBL17672564 | 0.78 | FFAR1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |