Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL5440135 | 0.72 | NR4A1 (0.41) | KDM4EGAAALDH1A1HPGDCA1 | |
| SCHEMBL338172 | 0.70 | CES1 (0.55) | GPR84CES1TYMPSOS1KDM4E | |
| Biphenyl SCHEMBL28230506 | 0.68 | CES1 (0.49) | GPR84CES1SOS1KDM4EMEN1 | |
| SCHEMBL7243627 | 0.67 | CES1 (0.52) | GPR84CES1TYMPSOS1KDM4E | |
| SCHEMBL27263879 | 0.66 | ALDH1A1 (0.53) | TYMPKDM4EALPLGAAGSK3B | |
| SCHEMBL29663473 | 0.66 | GPR84 (0.53) | GPR84CES1TYMPSOS1KDM4E | |
| SCHEMBL19960410 | 0.65 | ALDH1A1 (0.48) | SOS1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL28209362 | 0.65 | ALDH1A1 (0.46) | GPR84CES1TYMPKDM4EALPL | |
| SCHEMBL28620398 | 0.64 | CES1 (0.49) | GPR84CES1TYMPSOS1KDM4E | |
| SCHEMBL2760735 | 0.64 | LMNA (0.35) | CES1KDM4EMEN1KMT2AALDH1A1 |
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-117447464-A | Method for producing optically active compound | 首日生物制药公司 | 2024-01-26 | — | — | CN | disclosed |