Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.50 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | EDNRB | P24530 | 1/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5474574 | 0.97 | MCL1 (0.48) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29771062 | 0.97 | MCL1 (0.48) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23813384 | 0.97 | MCL1 (0.48) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29770947 | 0.97 | MCL1 (0.48) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29770868 | 0.95 | MCL1 (0.47) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL22345763 | 0.95 | MCL1 (0.47) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL23702391 | 0.95 | MCL1 (0.47) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29770877 | 0.95 | MCL1 (0.47) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29295440 | 0.93 | CA12 (0.54) | MCL1ACMSDCA12CA1CA2 | |
| SCHEMBL29770853 | 0.92 | MCL1 (0.44) | 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-112552137-A | Organic electroluminescent intermediate material and synthetic method thereof | 黑龙江省科学院石油化学研究院 | 2021-03-26 | — | — | CN | disclosed |