Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.69 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.69 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.69 |
| ▸ | ACHE | P22303 | 3/20 | 0.65 |
| ▸ | TGM2 | P21980 | 2/20 | 0.64 |
| ▸ | BCHE | P06276 | 4/20 | 0.63 |
| ▸ | CES2 | O00748 | 1/20 | 0.63 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.61 |
| ▸ | APAF1 | O14727 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL18974299 | 0.88 | ALDH1A1 (0.69) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL10975507 | 0.86 | CES1 (0.77) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL30774290 | 0.86 | CES1 (0.77) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL18288159 | 0.83 | CES1 (0.90) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL30774321 | 0.83 | TGM2 (0.67) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL18974146 | 0.82 | CES1 (0.66) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL8816419 | 0.82 | CASP3 (0.56) | ALDH1A1MAPTALOX15TSHRHSD17B10 | |
| SCHEMBL2087729 | 0.82 | ALDH1A1 (1.00) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL29506660 | 0.82 | ALDH1A1 (1.00) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 | |
| SCHEMBL18974309 | 0.81 | CES1 (0.77) | CES1ALDH1A1ALDH3A1CHRM1ALDH2 |
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 |