Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.55 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL79755 | 0.91 | CALM1 (0.67) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| SCHEMBL27326360 | 0.88 | CALM1 (0.63) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| SCHEMBL7201081 | 0.88 | CALM1 (0.63) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| SCHEMBL27824048 | 0.88 | CALM1 (0.63) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| SCHEMBL10337521 | 0.86 | CALM1 (0.60) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| Aluminum Chloride Anhydrous SCHEMBL28760191 | 0.82 | CALM1 (0.55) | CALM1SLC22A2LTA4HALDH1A1KDM4E | |
| Diphenylmethane SCHEMBL11592089 | 0.80 | CALM1 (0.67) | CALM1SLC22A2LTA4HTRPA1ALDH1A1 | |
| SCHEMBL27182261 | 0.80 | CALM1 (0.52) | CALM1LTA4HALDH1A1TSHRKDM4E | |
| SCHEMBL320687 | 0.80 | CALM1 (0.44) | CALM1ALDH1A1TSHRCYP3A4TDP1 | |
| SCHEMBL5023667 | 0.77 | CALM1 (0.55) | CALM1SLC22A2LTA4HTSHRKDM4E |
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-104803846-B | The method for preparing bis- [4- (6- acryloyl-oxy hexyl) phenyl] hexamethylene -1,4- dicarboxylic esters | 默克专利股份有限公司 | 2019-06-11 | — | — | CN | disclosed |