Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29130990 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HPGDLMNAHTTHSD17B10 | |
| SCHEMBL30602409 | 0.89 | ALDH1A1 (0.36) | ALDH1A1RAB9ACCR4KDM4ENQO2 | |
| SCHEMBL29130926 | 0.89 | ALDH1A1 (0.36) | ALDH1A1RAB9ACCR4KDM4ENQO2 | |
| SCHEMBL30602439 | 0.86 | RIPK1 (0.34) | ALDH1A1HPGDLMNARAB9ASMN1; SMN2 | |
| SCHEMBL29130928 | 0.86 | RIPK1 (0.34) | ALDH1A1HPGDLMNARAB9ASMN1; SMN2 | |
| SCHEMBL29130958 | 0.78 | KDM4E (0.42) | ALDH1A1HPGDHSD17B10TP53MAPK1 | |
| SCHEMBL2826186 | 0.77 | CCR4 (0.35) | ALDH1A1KMT2ACCR4KDM4ECYP1A2 | |
| SCHEMBL26934898 | 0.75 | KDM4E (0.43) | ALDH1A1HPGDLMNACCR4KDM4E | |
| SCHEMBL29131001 | 0.74 | TXNRD1 (0.37) | KMT2ACCR4NQO2MAPTTXNRD1 | |
| SCHEMBL30602403 | 0.74 | CDK1 (0.41) | ALDH1A1HPGDLMNAHSD17B10MAPK1 |
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-117069724-A | Fused ring compounds, pharmaceutical compositions and uses | 上海赛默罗德生物科技有限公司 | 2023-11-17 | — | — | CN | disclosed |