Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 17/20 | 0.77 |
| ▸ | CA2 | P00918 | 17/20 | 0.77 |
| ▸ | CA9 | Q16790 | 17/20 | 0.77 |
| ▸ | CA12 | O43570 | 14/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | CASP1 | P29466 | 2/20 | 0.65 |
| ▸ | CASP3 | P42574 | 2/20 | 0.65 |
| ▸ | CASP7 | P55210 | 2/20 | 0.65 |
| ▸ | CASP4 | P49662 | 1/20 | 0.65 |
| ▸ | CASP9 | P55211 | 1/20 | 0.65 |
| ▸ | CASP6 | P55212 | 1/20 | 0.65 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954825 | 0.87 | CA1 (1.00) | CA1CA2CA9CA12CASP1 | |
| SCHEMBL18954440 | 0.83 | ALDH1A1 (1.00) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL18954581 | 0.82 | CA1 (0.75) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL18954726 | 0.82 | CA1 (0.75) | CA1CA2CA9CA12 | |
| SCHEMBL18954718 | 0.82 | CA1 (0.75) | CA1CA2CA9CA12 | |
| SCHEMBL18954860 | 0.80 | CA1 (0.70) | CA1CA2CA9CA12 | |
| SCHEMBL18954688 | 0.80 | CA1 (0.70) | CA1CA2CA9CA12 | |
| SCHEMBL18954666 | 0.80 | CA1 (0.80) | CA1CA2CA9CA12 | |
| SCHEMBL8019337 | 0.79 | CASP3 (1.00) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL18954590 | 0.78 | ACHE (0.71) | CA1CA2CA9CA12CASP1 |
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-2017099695-A1 | N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS | ISTANBUL UNIVERSITESI REKTORLUGU (TR) | 2017-06-15 | — | — | WO | disclosed |