Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954783 | 0.85 | CTRC (0.52) | CHRM5ALDH1A1ALDH3A1CHRM1PARK7 | |
| SCHEMBL18954872 | 0.85 | CHRM5 (0.55) | CHRM5ALDH1A1ALDH3A1CHRM1PARK7 | |
| SCHEMBL18954698 | 0.85 | MAPT (0.56) | ALDH1A1TGM2KMT2A | |
| SCHEMBL18954595 | 0.84 | CHRM5 (0.53) | CHRM5ALDH1A1ALDH3A1PARK7TGM2 | |
| SCHEMBL18954636 | 0.83 | CHRM5 (0.58) | CHRM5ALDH1A1ALDH3A1CHRM1CA12 | |
| SCHEMBL18955196 | 0.81 | GAA (0.48) | CHRM5ALDH1A1PARK7TGM2KMT2A | |
| SCHEMBL18974327 | 0.81 | CES1 (0.62) | CHRM5ALDH1A1ALDH3A1CHRM1PARK7 | |
| SCHEMBL18954774 | 0.80 | CHRM5 (0.66) | CHRM5ALDH1A1ALDH3A1CA12CA1 | |
| SCHEMBL12930211 | 0.79 | CHRM5 (0.76) | CHRM5ALDH1A1ALDH3A1CHRM1 | |
| SCHEMBL18954674 | 0.79 | CHRM5 (0.55) | CHRM5ALDH1A1ALDH3A1CHRM1CA12 |
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 |