Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | ALB | P02768 | 1/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2273681 | 0.87 | TTR (0.42) | ALDH1A1KDM4EMEN1USP2DHFR | |
| SCHEMBL5195057 | 0.85 | SLC6A4 (0.49) | ALDH1A1MEN1LMNAKMT2ASLC6A4 | |
| SCHEMBL539834 | 0.85 | TDP1 (0.47) | ALDH1A1MEN1KMT2AATMTDP1 | |
| SCHEMBL12394315 | 0.84 | TTR (0.59) | ALDH1A1KDM4EMEN1USP2DHFR | |
| SCHEMBL5191949 | 0.82 | ABCB1 (0.48) | ALDH1A1MEN1KMT2ASLC6A4SLC6A3 | |
| SCHEMBL5192099 | 0.82 | ABCB1 (0.45) | TDP1CHEK1ERN1ABCB1ABCC1 | |
| SCHEMBL5192536 | 0.82 | ABCB1 (0.54) | ALDH1A1MEN1KMT2ATDP1SLC6A4 | |
| SCHEMBL23540246 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4EMEN1USP2DHFR | |
| SCHEMBL29654804 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4EMEN1USP2DHFR | |
| SCHEMBL5194240 | 0.79 | ABCB1 (0.53) | ALDH1A1KDM4ELMNATDP1SLC6A4 |
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-109734674-B | Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof | 中国药科大学 | 2022-08-26 | — | — | CN | disclosed |