Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.47 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.47 |
| ▸ | PARK7 | Q99497 | 2/20 | 0.46 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954774 | 0.83 | CHRM5 (0.66) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18954793 | 0.83 | ALDH3A1 (0.69) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18954674 | 0.82 | CHRM5 (0.55) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18974327 | 0.80 | CES1 (0.62) | CHRM5ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL18954751 | 0.78 | ALDH1A1 (0.67) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18954858 | 0.78 | ACHE (0.63) | CHRM5ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL18955172 | 0.78 | CTRC (0.54) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18954828 | 0.78 | CHRM5 (0.54) | CHRM5CA12CA1CA2CA9 | |
| SCHEMBL18954872 | 0.78 | CHRM5 (0.55) | CHRM5ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL18954567 | 0.77 | ALDH1A1 (0.55) | CHRM5ALDH1A1ALDH2ALDH3A1PARK7 |
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 |