Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | SMPD1 | P17405 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1201551 | 0.90 | SMPD1 (0.58) | SMPD1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL1199891 | 0.89 | SMPD1 (0.56) | SMPD1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL27733997 | 0.88 | ALDH1A1 (0.57) | KDM4ESMPD1ALDH1A1HPGD | |
| SCHEMBL7272322 | 0.85 | SMPD1 (0.51) | SMPD1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL8358255 | 0.85 | CYP1A2 (0.55) | SMPD1NPC1RAB9AHSD17B2PDE4B | |
| SCHEMBL29171425 | 0.84 | THRA (0.62) | KDM4ESMPD1NPC1RAB9AHSD17B2 | |
| SCHEMBL2308139 | 0.84 | THRA (0.62) | KDM4ESMPD1NPC1RAB9AHSD17B2 | |
| SCHEMBL29171428 | 0.84 | THRA (0.62) | KDM4ESMPD1NPC1RAB9AHSD17B2 | |
| SCHEMBL29171436 | 0.84 | THRA (0.62) | KDM4ESMPD1NPC1RAB9AHSD17B2 | |
| SCHEMBL31474383 | 0.84 | THRA (0.62) | KDM4ESMPD1NPC1RAB9AHSD17B2 |
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-101186577-A | Liquid crystal monomer with reaction character and preparation method thereof | NORTHWEST IND UNIVERSITY (CN) | 2008-05-28 | — | — | CN | disclosed |