Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL14036308 | 1.00 | MCL1 (0.53) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL16796022 | 0.95 | MCL1 (0.50) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL24816033 | 0.93 | CA12 (0.56) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29628965 | 0.93 | CA12 (0.56) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29892508 | 0.93 | CA12 (0.56) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29866205 | 0.92 | CA12 (0.50) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL2010178 | 0.92 | CA12 (0.50) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL316112 | 0.90 | TNF (0.57) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL27655623 | 0.89 | ALDH1A1 (0.46) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23633535 | 0.89 | KDM4E (0.50) | MCL1ACMSDCA12CA1CA2 |
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-114621045-A | Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde | 长沙资材科技有限公司 | 2022-06-14 | — | — | CN | disclosed |