Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29031364 | 0.86 | ALDH1A1 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL11809751 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL28604753 | 0.80 | CYP1A2 (0.40) | ALDH1A1CYP1A2HPGDHTTLMNA | |
| SCHEMBL29031369 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL13516610 | 0.78 | ALDH1A1 (0.35) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL7595550 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL3684202 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL13938653 | 0.76 | SLC6A4 (0.44) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL9646342 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP2C9CYP2C19CYP1A2SLC6A4 | |
| SCHEMBL13886668 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HPGDHTTLMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0512020-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF | Nobel Chemicals AB (SE) | 1992-11-11 | — | — | EP | claimed |
| WO-1991010642-A1 | PROCESS FOR PREPARING HOMOCHIRAL AMINES AND PROCESS FOR PREPARING INTERMEDIATES FOR THE PREPARATION THEREOF, AND THE INTERMEDIATES PREPARED IN ACCORDANCE WITH THIS PROCESS | NOBEL CHEMICALS AB (SE) | 1991-07-25 | — | — | WO | claimed |
| 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 |