Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | PNP | P00491 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13101047 | 0.78 | FYN (0.59) | FYNSCN5ASCN9A | |
| SCHEMBL13101037 | 0.74 | MEN1 (0.58) | KDM4CFYN | |
| SCHEMBL14869591 | 0.72 | CA1 (0.49) | NPC1PNPKDM4CPTGS2DYRK1A | |
| SCHEMBL454284 | 0.70 | NPC1 (0.67) | NPC1PNPKDM4CPTGS2DYRK1A | |
| Hydrochloric Acid SCHEMBL6297807 | 0.69 | NPC1 (0.70) | NPC1PNPKDM4CDYRK1AADORA3 | |
| SCHEMBL5042272 | 0.68 | SCN9A (0.41) | SCN5ASCN9AKCNH2 | |
| SCHEMBL28509025 | 0.67 | CXCR4 (0.66) | NPC1KDM4C | |
| SCHEMBL14394066 | 0.67 | FYN (0.49) | NPC1PNPKDM4CFYNADORA3 | |
| SCHEMBL15100791 | 0.67 | PIM1 (0.45) | NPC1PNPDYRK1AADORA3ADORA2A | |
| SCHEMBL14869666 | 0.67 | CA1 (0.46) | NPC1PNPKDM4CPTGS2DYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9458115-B2 | Synthesis of substituted pyrazines | LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) | 2016-10-04 | — | — | US | disclosed |
| US-20100267955-A1 | SYNTHESIS OF PYRAZINES INCLUDING 2,6-DIAMINOPYRAZINE-1-OXIDE (DAPO) AND 2,6-DIAMINO-3,5-DINITROPYRAZINE-1-OXIDE (LLM-105) | ENERGY, U.S. DEPARTMENT OF | 2010-10-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100267955-A1 | SYNTHESIS OF PYRAZINES INCLUDING 2,6-DIAMINOPYRAZINE-1-OXIDE (DAPO) AND 2,6-DIAMINO-3,5-DINITROPYRAZINE-1-OXIDE (LLM-105) | DAO, ADH5, LEO1 | NPC1 4701/4885PNP 493/4885KDM4C 990/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.