Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30337246 | 0.99 | ENPP2 (0.47) | ENPP2GRM2CYP2D6CCR5DRD2 | |
| SCHEMBL30337582 | 0.92 | SMN1; SMN2 (0.45) | CYP2D6THRBTSHRHTR1AL3MBTL1 | |
| SCHEMBL30337060 | 0.92 | KMT2A (0.49) | ENPP2CHKAHTR1AFAAH | |
| SCHEMBL30337505 | 0.90 | ALDH1A1 (0.46) | ENPP2GRM2CCR5ALDH1A1 | |
| SCHEMBL30337208 | 0.89 | ENPP2 (0.43) | ENPP2GRM2CCR5THRBALDH1A1 | |
| SCHEMBL30337392 | 0.88 | ALDH1A1 (0.44) | ENPP2CYP2D6CCR5ALDH1A1TSHR | |
| SCHEMBL30337235 | 0.88 | HTR1A (0.43) | ENPP2GRM2CYP2D6THRBALDH1A1 | |
| SCHEMBL30337191 | 0.88 | HTR1A (0.47) | ENPP2DRD2THRBTSHRHTR1A | |
| SCHEMBL24145684 | 0.86 | FAAH (0.39) | ENPP2CYP2D6CCR5ALDH1A1TSHR | |
| SCHEMBL30337200 | 0.86 | FAAH (0.39) | ENPP2CYP2D6CCR5ALDH1A1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |
| WO-2021261969-A1 | PREPARATION METHOD FOR NOVEL COMPOUND | 홀로스메딕 주식회사 | 2021-12-30 | — | — | WO | disclosed |
| WO-2021261970-A1 | NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING RESISTANT CANCER, COMPRISING SAME | 홀로스메딕 주식회사 | 2021-12-30 | — | — | WO | disclosed |