Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.62 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.62 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.62 |
| ▸ | CES1 | P23141 | 5/20 | 0.60 |
| ▸ | CDC25A | P30304 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.52 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.49 |
| ▸ | TGM2 | P21980 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18974747 | 0.92 | CES1 (0.59) | ALDH1A1ALDH2ALDH3A1CES1CDC25A | |
| SCHEMBL7424373 | 0.85 | KMT2A (0.63) | ALDH1A1TSHRMAPK1MAPTHSD17B10 | |
| SCHEMBL18954612 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TSHRMAPK1MAPTHTT | |
| SCHEMBL4987320 | 0.83 | ALDH1A1 (0.71) | ALDH1A1CES1BCHEMAPTHTT | |
| SCHEMBL18955310 | 0.83 | ALDH1A1 (0.56) | ALDH1A1ALDH2ALDH3A1TSHRMAPK1 | |
| SCHEMBL18954855 | 0.83 | ALDH1A1 (0.47) | ALDH1A1ALDH2ALDH3A1CES1CDC25A | |
| SCHEMBL18954700 | 0.83 | ALDH1A1 (0.47) | ALDH1A1ALDH2ALDH3A1TSHRMAPK1 | |
| SCHEMBL18954685 | 0.83 | PARK7 (0.58) | ALDH1A1TSHRMAPK1MAPTHTT | |
| SCHEMBL18954583 | 0.83 | ALDH1A1 (0.47) | ALDH1A1ALDH2ALDH3A1CES1CDC25A | |
| SCHEMBL18954676 | 0.83 | ALDH1A1 (0.56) | ALDH1A1ALDH2ALDH3A1TSHRMAPK1 |
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 |