Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | LMNA | P02545 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL28188343 | 0.86 | ALDH1A1 (0.48) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL4209233 | 0.80 | LMNA (0.59) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL13662746 | 0.79 | MAPT (0.56) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL3298388 | 0.79 | ALDH1A1 (0.55) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL25217463 | 0.78 | ALDH1A1 (0.61) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL4209751 | 0.76 | ALDH1A1 (0.62) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL4203933 | 0.76 | ALDH1A1 (0.53) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL25669620 | 0.76 | ALDH1A1 (0.53) | ALDH1A1LMNARAB9AMAPTNPSR1 | |
| SCHEMBL28461564 | 0.76 | MAPT (0.56) | ALDH1A1LMNARAB9AMAPTSMN1; SMN2 | |
| SCHEMBL28457496 | 0.76 | LMNA (0.36) | ALDH1A1LMNAMAPTNPSR1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107501198-B | Sulfoxide tetrazole derivative and preparation method and application thereof | 南京农业大学 | 2020-08-18 | — | — | CN | disclosed |
| CN-107501198-A | Sulfoxide tetranitroazole derivative and preparation method and application | 南京农业大学 | 2017-12-22 | — | — | CN | disclosed |