Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | AGPAT2 | O15120 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.35 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566467 | 0.85 | HTR2B (0.71) | HTR2BPDE4DSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9566593 | 0.85 | HTR2B (0.68) | HTR2BPDE4DMAPTXBP1HIF1A | |
| SCHEMBL4369095 | 0.70 | AGPAT2 (0.68) | HTR2BPDE4DMAPTSMN1; SMN2NPC1 | |
| SCHEMBL2622394 | 0.69 | AGPAT2 (0.65) | HTR2BPDE4DMAPTHTTSMN1; SMN2 | |
| SCHEMBL4292357 | 0.68 | HSP90AA1 (0.63) | HTR2BPDE4DMAPTXBP1HIF1A | |
| SCHEMBL6049548 | 0.68 | DHFR (0.47) | HTR2BPDE4DMAPTXBP1HIF1A | |
| SCHEMBL9566542 | 0.68 | HTR2B (0.72) | HTR2BPDE4DMAPTXBP1HIF1A | |
| Irsogladine SCHEMBL29517870 | 0.68 | HTR2B (1.00) | HTR2BPDE4DSMN1; SMN2NPC1RAB9A | |
| Irsogladine SCHEMBL62215 | 0.68 | HTR2B (1.00) | HTR2BPDE4DSMN1; SMN2NPC1RAB9A | |
| SCHEMBL9566518 | 0.68 | NPC1 (0.47) | HTR2BPDE4DMAPTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0563386-A1 | ANTICANCER COMPOSITION AND COMPOUND | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-10-06 | — | — | EP | disclosed |