Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | PRKDC | P78527 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ERN1 | O75460 | 7/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.42 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3136850 | 0.91 | ALDH1A1 (0.90) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL30865006 | 0.86 | ALDH1A1 (0.62) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL29456596 | 0.86 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL333451 | 0.86 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL9915849 | 0.84 | ALDH1A1 (0.78) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| Asaraldehyde SCHEMBL27489564 | 0.84 | ALDH1A1 (0.95) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL10849623 | 0.83 | ALDH1A1 (0.86) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL9717769 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL2037836 | 0.83 | PRKDC (0.74) | ALDH1A1KDM4ETSHRTDP1PRKDC | |
| SCHEMBL30729964 | 0.80 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRTDP1PRKDC |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024063699-A1 | COVALENT ORGANIC FRAMEWORKS USED AS SOLID PROTON-CONDUCTING MEMBRANE | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2024-03-28 | — | — | WO | disclosed |