Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28952769 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1HPGDHSD17B10 | |
| SCHEMBL28344499 | 0.74 | ALDH1A1 (0.43) | NOS3NOS1ALDH1A1KMT2AMEN1 | |
| SCHEMBL11855569 | 0.73 | NOX1 (0.40) | NOS3NOS1ALDH1A1IDO1NOX1 | |
| SCHEMBL11867417 | 0.73 | NOX1 (0.40) | NOS3NOS1ALDH1A1IDO1NOX1 | |
| SCHEMBL17913032 | 0.72 | ALDH1A1 (0.41) | NOS1ALDH1A1IDO1MAOAMAPT | |
| SCHEMBL17913029 | 0.72 | ALDH1A1 (0.41) | ALDH1A1IDO1GAAMAPTPOLB | |
| SCHEMBL21777201 | 0.72 | MAPT (0.42) | NOS3NOS1ALDH1A1IDO1KMT2A | |
| SCHEMBL11382133 | 0.72 | CA1 (0.44) | NOS3ALDH1A1HPGDMAOAGAA | |
| SCHEMBL14697226 | 0.72 | SLC22A2 (0.42) | ALDH1A1KMT2AMEN1HPGDHSD17B10 | |
| SCHEMBL713037 | 0.72 | ALDH1A1 (0.70) | ALDH1A1KMT2AMEN1HPGDHSD17B10 |
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-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | disclosed |