Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11128583 | 0.83 | CA12 (0.47) | CA1CA2ACHEALDH1A1HSD17B10 | |
| SCHEMBL5363394 | 0.78 | TSHR (0.52) | CA1CA2ACHEALDH1A1HSD17B10 | |
| SCHEMBL22340336 | 0.76 | CA1 (0.61) | CA1CA2BCHEACHEALDH1A1 | |
| Paraoxon SCHEMBL26405 | 0.75 | CA1 (1.00) | CA1CA2BCHEACHEALDH1A1 | |
| Paraoxon SCHEMBL21114409 | 0.75 | CA1 (1.00) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6259754 | 0.75 | CA1 (0.94) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL2596732 | 0.74 | CA1 (0.74) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6267678 | 0.73 | CA1 (0.72) | CA1CA2BCHEACHEALDH1A1 | |
| P-Nitrophenyl-O-Ethyl Ethylphosphonate SCHEMBL29350630 | 0.73 | CA1 (0.72) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL2545948 | 0.73 | CES2 (0.73) | CA1CA2BCHEACHEALDH1A1 |
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-110612119-A | Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents | 西雅图儿童医院（DBA西雅图儿童研究所） | 2019-12-24 | — | — | CN | disclosed |