Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22602778 | 0.88 | TDP1 (0.39) | CYP3A4CYP2D6CYP2C9CYP4F2CYP4A11 | |
| SCHEMBL27540250 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9LIPGMCL1 | |
| SCHEMBL13194157 | 0.79 | APOBEC3G (0.43) | CYP4F2CYP4A11ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL8748451 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9LIPGMCL1 | |
| SCHEMBL29681353 | 0.78 | TDP1 (0.43) | POLBCA2CYP4F2CYP4A11KDM4E | |
| SCHEMBL29681348 | 0.78 | TDP1 (0.43) | POLBCA2CYP4F2CYP4A11KDM4E | |
| SCHEMBL1607140 | 0.78 | TDP1 (0.43) | POLBCA2CYP4F2CYP4A11KDM4E | |
| SCHEMBL8524683 | 0.77 | LIPG (0.53) | CYP3A4CYP2D6CYP2C9LIPGMCL1 | |
| SCHEMBL23923071 | 0.76 | CYP3A4 (0.37) | CYP3A4CYP2D6CYP2C9POLBKDM4E | |
| SCHEMBL28180939 | 0.76 | CYSLTR2 (0.38) | CYP3A4CYP2D6CYP2C9ALDH1A1 |
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-107810190-A | Novel inhibitors of enzyme activating factor XII (FXIIa) | 洛桑联邦政府综合工科学校（EPFL) | 2018-03-16 | — | — | CN | claimed |