Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.70 |
| ▸ | CASP3 | P42574 | 3/20 | 0.70 |
| ▸ | CASP7 | P55210 | 3/20 | 0.70 |
| ▸ | CASP6 | P55212 | 3/20 | 0.70 |
| ▸ | CASP4 | P49662 | 2/20 | 0.70 |
| ▸ | CASP9 | P55211 | 2/20 | 0.70 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.70 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.48 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026201 | 0.83 | CASP1 (0.73) | CASP1CASP3CASP7CASP6CASP4 | |
| SCHEMBL8019337 | 0.83 | CASP3 (1.00) | CASP1CASP3CASP7CASP6CASP4 | |
| SCHEMBL18955172 | 0.81 | CTRC (0.54) | ACHEALDH1A1CA12CA1CA2 | |
| SCHEMBL18954793 | 0.81 | ALDH3A1 (0.69) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL18954858 | 0.81 | ACHE (0.63) | ACHEALDH1A1KDM4EPARK7ALDH2 | |
| SCHEMBL18954774 | 0.81 | CHRM5 (0.66) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL18954751 | 0.81 | ALDH1A1 (0.67) | ACHEALDH1A1CA12CA1CA2 | |
| SCHEMBL18974327 | 0.80 | CES1 (0.62) | ACHEALDH1A1PARK7ALDH2ALDH3A1 | |
| SCHEMBL18954848 | 0.78 | PARK7 (0.49) | CASP1CASP3CASP7CASP6CASP4 | |
| SCHEMBL18954626 | 0.78 | PARK7 (0.49) | CASP1CASP3CASP7CASP6CASP4 |
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 |