Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24802444 | 0.87 | GAA (0.47) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL10948188 | 0.87 | LMNA (0.56) | GAAALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL19181683 | 0.83 | CHEK1 (0.58) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL30772204 | 0.83 | CHEK1 (0.58) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL1010618 | 0.81 | GAA (0.70) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL17065172 | 0.81 | GAA (0.51) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL1008089 | 0.81 | ALDH1A1 (0.49) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL31594790 | 0.81 | ALDH1A1 (0.49) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL30148584 | 0.80 | GAA (0.44) | GAAALDH1A1TSHRNFKB1TDP1 | |
| SCHEMBL29180811 | 0.80 | LMNA (0.47) | GAAALDH1A1TSHRNFKB1TDP1 |
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 |