Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.75 |
| ▸ | NPC1 | O15118 | 4/20 | 0.75 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566581 | 0.86 | RAB9A (1.00) | RAB9ANPC1HTR2BPDE4DPOLB | |
| SCHEMBL9566620 | 0.84 | RAB9A (0.75) | RAB9ANPC1HTR2BPDE4DPOLB | |
| SCHEMBL9972528 | 0.78 | TSHR (0.62) | RAB9ANPC1TP53TSHRHPGD | |
| SCHEMBL30839800 | 0.78 | TSHR (0.62) | RAB9ANPC1TP53TSHRHPGD | |
| SCHEMBL31607615 | 0.78 | TSHR (0.62) | RAB9ANPC1TP53TSHRHPGD | |
| SCHEMBL9566515 | 0.77 | RAB9A (0.70) | RAB9ANPC1HTR2BPDE4DPOLB | |
| SCHEMBL10923751 | 0.77 | RAB9A (0.82) | RAB9ANPC1HTR2BPDE4DADORA1 | |
| SCHEMBL9566490 | 0.77 | RAB9A (0.70) | RAB9ANPC1HTR2BPDE4DPOLB | |
| SCHEMBL4083882 | 0.76 | NPC1 (0.53) | RAB9ANPC1TP53TSHRHPGD | |
| SCHEMBL28880529 | 0.75 | RAB9A (0.76) | RAB9ANPC1POLBADORA3ADORA2A |
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 |