Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SGK1 | O00141 | 4/20 | 0.32 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13646656 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CA2PTGES2CA1CA9 | |
| SCHEMBL3949353 | 0.87 | POLB (0.34) | ALDH1A1CA2PTGES2CA1CA9 | |
| Anthraquinone SCHEMBL28570281 | 0.86 | PGAM1 (0.46) | MEN1KMT2A | |
| SCHEMBL6760303 | 0.81 | SLC1A3 (0.41) | ALDH1A1CA2CA1TET2TDP1 | |
| SCHEMBL29669013 | 0.80 | TRPV4 (0.41) | ALDH1A1CA2PTGES2CA1CA9 | |
| SCHEMBL29209821 | 0.80 | SGK1 (0.35) | ALDH1A1CA2PTGES2CA1CA9 | |
| SCHEMBL320432 | 0.80 | TRPV4 (0.41) | ALDH1A1CA2PTGES2CA1CA9 | |
| SCHEMBL11166520 | 0.80 | PTGES2 (0.37) | ALDH1A1CA2PTGES2CA1CA9 | |
| SCHEMBL29669007 | 0.80 | TRPV4 (0.41) | ALDH1A1CA2PTGES2CA1CA9 | |
| Hydrochloric Acid SCHEMBL27910904 | 0.79 | SLC1A3 (0.40) | ALDH1A1CA2CA1TET2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114591204-A | Preparation and anti-tumor application of anthraquinone sulfonyl spiro derivative | 广西大学 | 2022-06-07 | — | — | CN | disclosed |