Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 4/20 | 0.35 |
| ▸ | FEN1 | P39748 | 4/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL2375700 | 0.85 | ALOX5AP (0.46) | ALOX5APFEN1NOS3NOS1NOS2 | |
| SCHEMBL2368857 | 0.77 | MKNK2 (0.41) | TRPV4ALOX5APFEN1KDM4E | |
| SCHEMBL20689171 | 0.77 | TRPV4 (0.53) | TRPV4ALOX5APFEN1NOS3NOS1 | |
| SCHEMBL31456651 | 0.77 | TRPV4 (0.53) | TRPV4ALOX5APFEN1NOS3NOS1 | |
| SCHEMBL2368572 | 0.76 | MCHR1 (0.43) | ALOX5APFEN1SLC6A2GRM4 | |
| SCHEMBL29573156 | 0.76 | MCHR1 (0.43) | ALOX5APFEN1SLC6A2GRM4 | |
| Hydrochloric Acid SCHEMBL21582294 | 0.76 | TRPV4 (0.51) | TRPV4ALOX5APFEN1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL30844823 | 0.76 | TRPV4 (0.51) | TRPV4ALOX5APFEN1NOS3NOS1 | |
| SCHEMBL235146 | 0.74 | — | — | |
| SCHEMBL29536539 | 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 |
|---|---|---|---|---|---|---|---|
| CN-105980363-A | Aminopyrazolone Derivatives | 第三共株式会社 | 2016-09-28 | — | — | CN | disclosed |