Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11989037 | 0.81 | PTGS1 (0.44) | USP7ALDH1A1PTGS1PTGS2KDM4E | |
| SCHEMBL13034797 | 0.74 | PCSK9 (0.47) | MAP4K4ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL18238797 | 0.72 | NPC1 (0.35) | ALDH1A1PTGS1PTGS2KDM4EHPGD | |
| SCHEMBL24783513 | 0.70 | FLT3 (0.34) | MAP4K4ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL12541310 | 0.69 | TDP1 (0.44) | ALDH1A1MEN1KMT2AKCNH3GAA | |
| SCHEMBL19153502 | 0.69 | NPC1 (0.37) | ALDH1A1KMT2AGAATDP1PTGS1 | |
| SCHEMBL11989034 | 0.67 | MAP4K4 (0.34) | USP7MAP4K4KCNH3TDP1TRPM8 | |
| SCHEMBL15679454 | 0.64 | KDM4E (0.35) | ALDH1A1KMT2AGAAPTGS1PTGS2 | |
| SCHEMBL26247375 | 0.64 | NPC1 (0.41) | ALDH1A1MEN1KMT2AKDM4EHPGD | |
| SCHEMBL9217808 | 0.64 | PTGS1 (0.52) | ALDH1A1PTGS1PTGS2KDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021149767-A1 | HETEROCYCLIC DERIVATIVE | 大日本住友製薬株式会社 | 2021-07-29 | — | — | WO | disclosed |
| WO-2021039961-A1 | RING-FUSED PYRAZOLE DERIVATIVE | 大日本住友製薬株式会社 | 2021-03-04 | — | — | WO | disclosed |