Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | BCL2 | P10415 | 2/20 | 0.48 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | CTSK | P43235 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28684650 | 1.00 | ALDH1A1 (0.49) | ALDH1A1TSHRBCL2KAT2BPPARA | |
| SCHEMBL28684687 | 0.91 | GSTP1 (0.48) | ALDH1A1TSHRBCL2KAT2BCTSK | |
| SCHEMBL28684688 | 0.91 | GSTP1 (0.48) | ALDH1A1TSHRBCL2KAT2BCTSK | |
| SCHEMBL645782 | 0.87 | PPARA (0.48) | ALDH1A1TSHRBCL2PPARAPPARG | |
| SCHEMBL949969 | 0.87 | PPARA (0.48) | ALDH1A1TSHRBCL2PPARAPPARG | |
| SCHEMBL4704052 | 0.87 | PPARA (0.48) | ALDH1A1TSHRBCL2PPARAPPARG | |
| SCHEMBL9300334 | 0.87 | KAT2B (0.51) | ALDH1A1TSHRBCL2KAT2BPPARA | |
| SCHEMBL28698446 | 0.85 | KAT2B (0.47) | ALDH1A1BCL2KAT2BNPC1MAPT | |
| SCHEMBL29465810 | 0.85 | KAT2B (0.47) | ALDH1A1BCL2KAT2BNPC1MAPT | |
| SCHEMBL30849526 | 0.81 | ALDH1A1 (0.61) | ALDH1A1KAT2BNPC1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057771-B | Macrocyclic compounds, their preparation and use | 北京鞍石生物科技有限责任公司 | 2023-10-03 | — | — | CN | disclosed |
| CN-114057771-A | Macrocyclic compound and preparation method and application thereof | 北京鞍石生物科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |