Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28031675 | 0.87 | CA12 (0.36) | CA12CA1CA2CA9CA14 | |
| SCHEMBL28298942 | 0.87 | ALDH1A1 (0.50) | ALDH1A1ELANESMN1; SMN2HSD17B10TSHR | |
| SCHEMBL33412 | 0.87 | ALDH1A1 (0.50) | ALDH1A1ELANESMN1; SMN2HSD17B10TSHR | |
| Methane SCHEMBL28207399 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL28270676 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL28064991 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL1022660 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| SCHEMBL28184760 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| Ethylene SCHEMBL16830236 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRTDP1 | |
| Toluene SCHEMBL28163623 | 0.81 | ELANE (0.42) | CA12CA1CA14ALDH1A1ELANE |
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-116348501-A | Liquid crystal composition, method for manufacturing liquid crystal display element, and liquid crystal display element | 日产化学株式会社 | 2023-06-27 | — | — | CN | disclosed |