Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | TCF4 | P15884 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL30615221 | 1.00 | PDE2A (0.34) | PDE2APDE10ACYP3A4CYP17A1CYP11B1 | |
| SCHEMBL30615102 | 0.81 | CYP3A4 (0.42) | PDE10ACYP3A4ABL1BCRALDH1A1 | |
| SCHEMBL29091598 | 0.81 | CYP3A4 (0.42) | PDE10ACYP3A4ABL1BCRALDH1A1 | |
| SCHEMBL18032483 | 0.74 | IDO1 (0.33) | — | |
| SCHEMBL29091623 | 0.73 | ERN1 (0.42) | CYP3A4ALDH1A1MEN1CYP1A2GAA | |
| SCHEMBL30615095 | 0.73 | ERN1 (0.42) | CYP3A4ALDH1A1MEN1CYP1A2GAA | |
| SCHEMBL30615094 | 0.73 | RET (0.33) | — | |
| SCHEMBL29091629 | 0.73 | TPMT (0.33) | ALDH1A1MEN1GAAKMT2AKDM4E | |
| SCHEMBL30615156 | 0.73 | TPMT (0.33) | ALDH1A1MEN1GAAKMT2AKDM4E | |
| SCHEMBL29091664 | 0.72 | PDE2A (0.35) | PDE2APDE10ACYP17A1CYP11B1CYP11B2 |
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-116925100-A | Substituted thiophenoquinolinone compound and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2023-10-24 | — | — | CN | disclosed |