Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | NSD2 | O96028 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404427 | 0.77 | CYP1A2 (0.55) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL2090797 | 0.74 | CYP1A2 (0.50) | ALDH1A1TSHRNR4A2PARP1KMT2A | |
| SCHEMBL2097843 | 0.74 | ACHE (0.36) | ALDH1A1NFE2L2CYP1A2CYP2A6 | |
| SCHEMBL2091288 | 0.74 | ALDH1A1 (0.36) | ALDH1A1PARP1CYP1A2CYP2A6 | |
| SCHEMBL2097612 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2A6 | |
| SCHEMBL48843 | 0.69 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29365003 | 0.69 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL11765510 | 0.69 | CYP3A4 (0.78) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL4083640 | 0.67 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 | |
| SCHEMBL29903130 | 0.67 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TDP1TSHRHSD17B10 |
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-112142702-B | Synthesis method of 7-mercapto-isobenzofuran-1 (3H) -ketone compound | 烟台药物研究所 | 2022-07-29 | — | — | CN | disclosed |