Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.66 |
| ▸ | PARK7 | Q99497 | 5/20 | 0.61 |
| ▸ | NSD2 | O96028 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.50 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954674 | 0.91 | CHRM5 (0.55) | CHRM5PARK7NSD2CA12CA1 | |
| SCHEMBL18955172 | 0.85 | CTRC (0.54) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18954858 | 0.85 | ACHE (0.63) | CHRM5PARK7ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL18954751 | 0.85 | ALDH1A1 (0.67) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18954793 | 0.85 | ALDH3A1 (0.69) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18974327 | 0.84 | CES1 (0.62) | CHRM5PARK7ALDH1A1ALDH3A1ALDH2 | |
| SCHEMBL18954709 | 0.83 | CHRM5 (0.48) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18954626 | 0.81 | PARK7 (0.49) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18954540 | 0.81 | PARK7 (0.49) | CHRM5PARK7CA12CA1CA2 | |
| SCHEMBL18954848 | 0.81 | PARK7 (0.49) | CHRM5PARK7CA12CA1CA2 |
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 |