Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 10/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29450619 | 1.00 | TRPV1 (0.60) | TRPV1KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL29450636 | 0.82 | CYP2C9 (0.54) | TRPV1CYP2C9GAA | |
| SCHEMBL29450631 | 0.81 | HCRTR2 (0.49) | TRPV1KDM4EALDH1A1CYP2C19CYP2C9 | |
| SCHEMBL29495913 | 0.76 | LMNA (0.55) | KDM4EALDH1A1CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL24575927 | 0.75 | EPHX2 (0.64) | TRPV1CYP2C9EPHX2LMNAGAA | |
| SCHEMBL31616415 | 0.75 | MEN1 (0.62) | TRPV1KDM4EALDH1A1EPHX2ANPEP | |
| SCHEMBL31616442 | 0.75 | MEN1 (0.62) | TRPV1KDM4EALDH1A1EPHX2ANPEP | |
| SCHEMBL31616338 | 0.75 | MEN1 (0.62) | TRPV1KDM4EALDH1A1EPHX2ANPEP | |
| SCHEMBL31217977 | 0.74 | — | — | |
| SCHEMBL24731955 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022030589-A1 | LIGAND CONTAINING MONODENTATE COORDINATION UREA COMPOUND, AND BORYLATION CATALYST CONTAINING SAME | 国立大学法人北海道大学 | 2022-02-10 | — | — | WO | disclosed |