Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7120048 | 0.83 | CTBP2 (0.51) | ALDH1A1HPGDTSHRKMT2AMEN1 | |
| SCHEMBL5991730 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL5106925 | 0.79 | PTGS2 (0.56) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL29430565 | 0.79 | PTGS2 (0.56) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL24802445 | 0.78 | TSHR (0.49) | ALDH1A1HSD17B10TSHRKMT2AMEN1 | |
| SCHEMBL6990892 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL29853174 | 0.77 | PKM (0.51) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL21438124 | 0.77 | PKM (0.51) | ALDH1A1KDM4EHPGDHSD17B10GABRA1 | |
| SCHEMBL9890713 | 0.77 | FFAR1 (0.42) | ALDH1A1HPGDTSHRPTGS2BCHE | |
| SCHEMBL30577242 | 0.77 | HTT (0.42) | ALDH1A1KDM4ETSHRKMT2AMEN1 |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |