Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | RYR2 | Q92736 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL450053 | 0.97 | — | — | |
| SCHEMBL10580638 | 0.95 | ALDH1A1 (0.34) | ALDH1A1GAARYR2HPGDMAPT | |
| Cyclopentane SCHEMBL28685011 | 0.93 | TSHR (0.36) | ALDH1A1GAARYR2HPGDMAPT | |
| SCHEMBL1718843 | 0.85 | RYR2 (0.32) | ALDH1A1GAARYR2TSHR | |
| SCHEMBL28602086 | 0.85 | ALDH1A1 (0.30) | ALDH1A1GAA | |
| SCHEMBL29025314 | 0.83 | TSHR (0.30) | TSHR | |
| SCHEMBL29025270 | 0.83 | LMNA (0.30) | LMNAHTTNPSR1 | |
| SCHEMBL10827179 | 0.81 | PTPN5 (0.36) | ALDH1A1GAARYR2HPGDMAPT | |
| SCHEMBL16972817 | 0.78 | MAOA (0.31) | — | |
| SCHEMBL9149 | 0.73 | RYR2 (0.36) | ALDH1A1GAARYR2HPGDKDM4E |
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-108699026-B | Method for preparing cyclododecane disulfide | 伊士曼化工公司 | 2021-10-01 | — | — | CN | disclosed |