Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ACP3 | P15309 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | SMPD2 | O60906 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL28782552 | 0.82 | ALDH1A1 (0.46) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL614835 | 0.82 | CYP2C9 (0.46) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL3075603 | 0.77 | CYP2C19 (0.41) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL6405535 | 0.76 | ALDH1A1 (0.50) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL28983105 | 0.76 | TSHR (0.44) | ALDH1A1HPGDKDM4E | |
| SCHEMBL6005218 | 0.75 | ALDH1A1 (0.54) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL29957205 | 0.75 | ALDH1A1 (0.54) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL9352587 | 0.75 | CYP2C19 (0.54) | CYP2C19CYP2C9ALDH1A1CYP1A2ACP3 | |
| SCHEMBL25384344 | 0.75 | CYP1A2 (0.49) | CYP2C19ALDH1A1CYP1A2MEN1KMT2A | |
| SCHEMBL23904574 | 0.74 | ACP3 (0.40) | CYP2C19CYP2C9ALDH1A1ACP3HTT |
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-2022035805-A1 | SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2022-02-17 | — | — | WO | disclosed |