Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | ALDH3A1 | P30838 | 5/20 | 0.56 |
| ▸ | CES1 | P23141 | 4/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.52 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | UBE2N | P61088 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | APAF1 | O14727 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4597810 | 0.84 | CES1 (0.77) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL30774308 | 0.84 | CES1 (0.77) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL18974326 | 0.75 | ALDH1A1 (0.50) | ALDH3A1CES1ACHEALDH1A1CHRM1 | |
| SCHEMBL18974314 | 0.75 | CHRM5 (0.55) | ALDH3A1CES1ALDH1A1CHRM1ALDH2 | |
| SCHEMBL2644044 | 0.75 | CASP3 (0.87) | CASP3ALDH1A1LMNAHPGDUBE2N | |
| SCHEMBL18288159 | 0.75 | CES1 (0.90) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL13442861 | 0.73 | CASP3 (1.00) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL13627894 | 0.72 | LMNA (0.59) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL16798764 | 0.72 | ALDH3A1 (1.00) | CASP3ALDH3A1CES1ACHEALDH1A1 | |
| SCHEMBL9096595 | 0.72 | ALDH3A1 (0.80) | CASP3ALDH3A1CES1ACHEALDH1A1 |
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 |