Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.73 |
| ▸ | TSHR | P16473 | 5/20 | 0.73 |
| ▸ | HPGD | P15428 | 4/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.73 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.73 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.73 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.61 |
| ▸ | AHR | P35869 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL40362 | 1.00 | ALDH1A1 (0.73) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL29524698 | 1.00 | ALDH1A1 (0.73) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL106821 | 1.00 | ALDH1A1 (0.73) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL29555052 | 1.00 | ALDH1A1 (0.73) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Methane SCHEMBL28210424 | 0.94 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL2536328 | 0.93 | ALDH1A1 (0.62) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL16720606 | 0.90 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL4765177 | 0.89 | CYP1A2 (0.71) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL29287764 | 0.88 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| Water SCHEMBL28848161 | 0.88 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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-117800995-A | Organic compound, preparation method thereof and application of organic compound | 华为技术有限公司 | 2024-04-02 | — | — | CN | disclosed |