Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.46 |
| ▸ | ORAI2 | Q96SN7 | 2/20 | 0.46 |
| ▸ | ORAI3 | Q9BRQ5 | 2/20 | 0.46 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.46 |
| ▸ | LPL | P06858 | 1/20 | 0.46 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2474216 | 0.92 | ACHE (0.43) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL2475622 | 0.85 | ORAI1 (0.48) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL28613703 | 0.80 | TRPV6 (0.46) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL5841563 | 0.79 | ACHE (0.47) | LMNAACHEHTTSMN1; SMN2DRD2 | |
| SCHEMBL30038531 | 0.79 | CA1 (0.40) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL2413438 | 0.79 | HTT (0.44) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL14983334 | 0.79 | ACHE (0.42) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL5700030 | 0.79 | USP2 (0.49) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL5156121 | 0.78 | NPSR1 (0.39) | CA2ORAI1ORAI2ORAI3TRPV6 | |
| Anthracene SCHEMBL5574730 | 0.78 | CA1 (0.42) | CA2ORAI1ORAI2ORAI3TRPV6 |
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-114560840-B | 2, 7-diaryl xanthene spirofluorene diol derivative and preparation method thereof | 常州南京大学高新技术研究院 | 2023-10-03 | — | — | CN | disclosed |