Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17672927 | 0.97 | SLC6A4 (0.33) | SLC6A4TRPV4MMP14CYP2A6TTR | |
| SCHEMBL17629889 | 0.96 | TSHR (0.34) | SLC6A4TRPV4MMP14CYP2A6TTR | |
| SCHEMBL17672818 | 0.90 | DRD2 (0.34) | SLC6A4TRPV4CYP2A6TTRALB | |
| SCHEMBL17672595 | 0.86 | ALB (0.40) | SLC6A4TTRALBKCNH2SLC6A3 | |
| SCHEMBL17672950 | 0.85 | SLC6A4 (0.35) | SLC6A4TTRALBKCNH2SLC6A3 | |
| SCHEMBL17672506 | 0.83 | SLC6A2 (0.37) | SLC6A4DRD2PPARDPPARAKCNH2 | |
| SCHEMBL17672463 | 0.81 | MAOB (0.43) | TSHRKCNH2RAB9ASMN1; SMN2 | |
| SCHEMBL17679304 | 0.80 | TSHR (0.51) | SLC6A4DRD2DRD3TSHRHSD17B10 | |
| SCHEMBL17643416 | 0.79 | MEN1 (0.43) | TRPV4CYP2A6TTRALBDRD2 | |
| SCHEMBL31483664 | 0.79 | MEN1 (0.43) | TRPV4CYP2A6TTRALBDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |