Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 7/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.69 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954858 | 0.85 | ACHE (0.63) | ALDH3A1ALDH1A1ALDH2PARK7CHRM5 | |
| SCHEMBL18954751 | 0.85 | ALDH1A1 (0.67) | ALDH3A1ALDH1A1ALDH2PARK7CA12 | |
| SCHEMBL18955172 | 0.85 | CTRC (0.54) | ALDH3A1ALDH1A1ALDH2PARK7CA12 | |
| SCHEMBL18954774 | 0.85 | CHRM5 (0.66) | ALDH3A1ALDH1A1ALDH2PARK7CA12 | |
| SCHEMBL9904848 | 0.84 | ALDH3A1 (0.72) | ALDH3A1ALDH1A1ALDH2CA12CA1 | |
| SCHEMBL18974327 | 0.84 | CES1 (0.62) | ALDH3A1ALDH1A1ALDH2PARK7CES2 | |
| SCHEMBL18954709 | 0.83 | CHRM5 (0.48) | ALDH3A1ALDH1A1ALDH2PARK7CA12 | |
| SCHEMBL18954645 | 0.82 | ALDH1A1 (0.51) | ALDH3A1ALDH1A1ALDH2PARK7CA12 | |
| SCHEMBL16798714 | 0.82 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1ALDH2CA12CA1 | |
| SCHEMBL18954626 | 0.81 | PARK7 (0.49) | ALDH3A1ALDH1A1ALDH2PARK7CA12 |
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 |