Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.64 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566537 | 0.81 | NPC1 (0.68) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL9566518 | 0.81 | NPC1 (0.47) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL9566439 | 0.78 | HTR2B (0.68) | NPC1HTR2BPDE4DSMN1; SMN2MEN1 | |
| SCHEMBL9566522 | 0.78 | HTR2B (0.68) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL17866357 | 0.78 | NPC1 (1.00) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL9566398 | 0.72 | SMN1; SMN2 (0.59) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL10822557 | 0.72 | SMN1; SMN2 (0.48) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL22044487 | 0.72 | NPC1 (0.33) | NPC1 | |
| SCHEMBL9566417 | 0.70 | NPC1 (0.46) | NPC1HTR2BPDE4DSMN1; SMN2BACE1 | |
| SCHEMBL9566576 | 0.69 | NPC1 (0.43) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A |
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 |