Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.41 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.37 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.37 |
| ▸ | FDPS | P14324 | 11/20 | 0.36 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062621 | 0.80 | SMPD1 (0.41) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL27862072 | 0.76 | SMPD1 (0.38) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL5909138 | 0.74 | SMPD1 (0.43) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL433467 | 0.74 | SMPD1 (0.43) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL9750400 | 0.72 | SMPD1 (0.47) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL1921756 | 0.72 | SMPD1 (0.42) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL202465 | 0.72 | SMPD1 (0.47) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| Ammonia Solution, Strong SCHEMBL29187409 | 0.72 | SMPD1 (0.42) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL27449338 | 0.71 | SMPD1 (0.38) | SMPD1LPAR3LPAR1LPAR2FDPS | |
| SCHEMBL3678332 | 0.71 | SMPD1 (0.47) | SMPD1LPAR3LPAR1LPAR2FDPS |
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-117024503-A | Bufotalin phosphate derivative, and pharmaceutical composition, preparation and application thereof | 上海邈基生物科技有限公司 | 2023-11-10 | — | — | CN | disclosed |