Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TOP2A | P11388 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1854671 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2LMNAHSD17B10 | |
| SCHEMBL4814415 | 0.83 | CRBN (0.49) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL1239564 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL16558714 | 0.78 | HTR3E (0.49) | MAPTLMNAHTR7HTR1AHTR2B | |
| SCHEMBL28505626 | 0.77 | LMNA (0.43) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL30059728 | 0.76 | MAPT (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL22536096 | 0.75 | TOP2A (0.43) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL29724110 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL29724074 | 0.75 | TOP2A (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL28776450 | 0.75 | TOP2A (0.50) | ALDH1A1MAPTSMN1; SMN2LMNAGAA |
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-105712945-B | 2-substituted oxy-5-methylsulfonyl aryl piperazine amide analogue and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-12-01 | — | — | CN | disclosed |