Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.67 |
| ▸ | BCHE | P06276 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.66 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.66 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | CDC25A | P30304 | 1/20 | 0.61 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.60 |
| ▸ | TGM2 | P21980 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1519990 | 0.90 | CES1 (0.71) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL25119569 | 0.85 | CES1 (0.85) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL25119255 | 0.83 | CES1 (0.84) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL4624469 | 0.82 | CES1 (0.73) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL29459522 | 0.82 | KMT2A (0.73) | ALDH1A1MEN1KMT2A | |
| SCHEMBL877279 | 0.82 | KMT2A (0.73) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4627352 | 0.81 | CES1 (0.51) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL19924204 | 0.81 | CES1 (1.00) | CES1BCHEALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL19020196 | 0.80 | CDC25A (0.54) | CDC25AMEN1KMT2AAPEX1 | |
| SCHEMBL18974294 | 0.80 | ALDH1A1 (0.62) | CES1BCHEALDH1A1ALDH2ALDH3A1 |
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 |