Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8035348 | 0.84 | GAA (0.58) | ALDH1A1LMNASMN1; SMN2HTTUGT2B7 | |
| SCHEMBL13198785 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 | |
| SCHEMBL181005 | 0.81 | TSHR (0.56) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 | |
| SCHEMBL9853020 | 0.81 | UGT2B7 (0.46) | UGT2B7SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL27539023 | 0.79 | TSHR (0.54) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 | |
| SCHEMBL909586 | 0.79 | TSHR (0.54) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 | |
| SCHEMBL6307398 | 0.79 | TSHR (0.54) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 | |
| SCHEMBL11323036 | 0.78 | UGT2B7 (0.50) | ALDH1A1UGT2B7SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8035416 | 0.78 | L3MBTL1 (0.45) | ALDH1A1LMNASMN1; SMN2HTTNPSR1 | |
| SCHEMBL5055329 | 0.76 | ALDH1A1 (0.53) | ALDH1A1LMNAHPGDSMN1; SMN2USP2 |
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-111205202-A | Quaternary carbon center-containing symmetric gem-difluoroolefin derivative and synthesis method thereof | 华南理工大学 | 2020-05-29 | — | — | CN | disclosed |