Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD2 | O60906 | 2/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.55 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.48 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9998150 | 0.85 | SMPD2 (0.56) | SMPD2MTNR1AMTNR1BHDAC8HDAC6 | |
| SCHEMBL9998152 | 0.85 | SMPD2 (0.56) | SMPD2MTNR1AMTNR1BHDAC8HDAC6 | |
| SCHEMBL28453539 | 0.81 | NFE2L2 (0.40) | SMPD2GRIK1GRIK2NPC1SMN1; SMN2 | |
| SCHEMBL29229628 | 0.79 | MAOB (0.46) | NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13296131 | 0.79 | NFE2L2 (0.60) | GRIK1GRIK2NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3300830 | 0.79 | NFE2L2 (0.60) | GRIK1GRIK2NPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL28655523 | 0.76 | RXRA (0.47) | SMPD2MTNR1AMTNR1BHDAC8HDAC6 | |
| SCHEMBL22064100 | 0.76 | MTNR1A (0.44) | SMPD2MTNR1AMTNR1BHDAC8HDAC6 | |
| SCHEMBL1158019 | 0.75 | MMP1 (0.51) | NPC1ALDH1A1 | |
| SCHEMBL1158016 | 0.75 | MMP1 (0.51) | NPC1ALDH1A1 |
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-114105822-A | Pseudo C2Symmetrical chiral diallyl substituted compound and preparation method and application thereof | 武汉大学 | 2022-03-01 | — | — | CN | disclosed |