Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL17913040 | 0.91 | CA12 (0.53) | LIMK2ALDH1A1GAAGFERCA12 | |
| SCHEMBL17913071 | 0.88 | CA12 (0.48) | PGRALDH1A1MAPTGAASMN1; SMN2 | |
| SCHEMBL17913104 | 0.88 | CA12 (0.48) | LIMK2ALDH1A1CA12CA9MEN1 | |
| SCHEMBL17913098 | 0.86 | ALDH1A1 (0.47) | LIMK2ALDH1A1MAPTGAAMAPK1 | |
| SCHEMBL17913052 | 0.76 | PGR (0.61) | PGRLIMK2ALDH1A1MAPTGAA | |
| SCHEMBL17913083 | 0.76 | PGR (0.61) | PGRLIMK2ALDH1A1MAPTGAA | |
| SCHEMBL17913070 | 0.76 | PPIA (0.59) | PGRLIMK2ALDH1A1MAPTGAA | |
| SCHEMBL17913097 | 0.76 | PPIA (0.59) | PGRLIMK2ALDH1A1MAPTGAA | |
| SCHEMBL812663 | 0.75 | PGR (0.82) | PGRALDH1A1MAPTGAAMAPK1 | |
| SCHEMBL17913094 | 0.73 | LIMK2 (0.54) | LIMK2CA12CA9TMPRSS6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |