Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.68 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9566597 | 0.82 | HTR2B (0.70) | NPC1HTR2BPDE4DSMN1; SMN2ALDH1A1 | |
| SCHEMBL9566543 | 0.81 | NPC1 (0.64) | NPC1HTR2BPDE4DSMN1; SMN2ALDH1A1 | |
| SCHEMBL9566522 | 0.81 | HTR2B (0.68) | NPC1HTR2BPDE4DSMN1; SMN2ADORA2A | |
| SCHEMBL9566417 | 0.81 | NPC1 (0.46) | NPC1HTR2BPDE4DSMN1; SMN2RAB9A | |
| SCHEMBL17866357 | 0.81 | NPC1 (1.00) | NPC1HTR2BPDE4DSMN1; SMN2ALDH1A1 | |
| SCHEMBL21781562 | 0.76 | IDH1 (0.45) | NPC1IDH1SMN1; SMN2ADORA2ARAB9A | |
| SCHEMBL669913 | 0.75 | SMN1; SMN2 (0.59) | NPC1IDH1SMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL29803060 | 0.75 | SMN1; SMN2 (0.59) | NPC1IDH1SMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL21573266 | 0.75 | IDH1 (0.83) | NPC1IDH1 | |
| SCHEMBL17960864 | 0.75 | IDH1 (0.54) | NPC1HTR2BIDH1ADORA2AAGPAT2 |
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 |