Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL16815693 | 0.83 | RXRA (0.45) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL16920975 | 0.79 | CYP1A2 (0.47) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL4271456 | 0.77 | ALKBH1 (0.47) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL6644771 | 0.76 | LTA4H (0.49) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL1275205 | 0.76 | PIN1 (0.49) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL13403105 | 0.76 | L3MBTL1 (0.47) | MAPK9MAPK10PIN1CYP1A2ALDH1A1 | |
| SCHEMBL18080656 | 0.76 | TSHR (0.43) | MAPK9MAPK10PIN1LTA4HMAPK14 | |
| SCHEMBL2779108 | 0.76 | LTA4H (0.55) | LTA4HMAPK14CYP1A2TSHRCYP3A4 | |
| SCHEMBL11009131 | 0.73 | TSHR (0.52) | PIN1LTA4HMAPK14CYP1A2TSHR | |
| SCHEMBL28619751 | 0.73 | ALDH1A1 (0.50) | MAPK9MAPK10PIN1CYP1A2ALDH1A1 |
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-117751113-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-113166077-A | Antibacterial compounds | 福至治疗公司 | 2021-07-23 | — | — | CN | disclosed |