Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.55 |
| ▸ | PIM1 | P11309 | 3/20 | 0.47 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1479354 | 0.83 | ADRA1A (0.58) | ADRA1AGAAACHEKCNQ2PKM | |
| SCHEMBL3908700 | 0.78 | KCNQ2 (0.62) | ADRA1AGAAKCNQ2KMT2ALMNA | |
| SCHEMBL13879814 | 0.75 | L3MBTL1 (0.63) | GAAKMT2ATSHRL3MBTL1 | |
| Msx-122 SCHEMBL10054965 | 0.74 | CXCR4 (0.61) | HDAC1KMT2A | |
| SCHEMBL20852066 | 0.73 | MAPT (0.55) | GAAKMT2ATSHRNPSR1L3MBTL1 | |
| SCHEMBL23997384 | 0.72 | KCNQ2 (0.51) | ADRA1AGAAACHEKCNQ2PKM | |
| SCHEMBL30336847 | 0.72 | KCNQ2 (0.51) | ADRA1AGAAACHEKCNQ2PKM | |
| SCHEMBL6372855 | 0.72 | ADRA1A (0.97) | ADRA1A | |
| SCHEMBL13879813 | 0.72 | HDAC4 (0.50) | GAAACHEKCNQ2KMT2AL3MBTL1 | |
| SCHEMBL10055027 | 0.72 | HDAC1 (0.54) | HDAC1KMT2ABACE1LMNAL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-8080659-B2 | CXCR4 antagonists including diazine and triazine structures for the treatment of medical disorders | EMORY UNIVERSITY (US) | 2011-12-20 | — | — | US | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | US | disclosed |
| US-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | EMORY UNIVERSITY | 2009-04-16 | — | — | 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-20090099194-A1 | CXCR4 Antagonists Including Diazine And Triazine Structures For The Treatment Of Medical Disorders | CXCR4, CXCL12, CCR5 | ADRA1A 604/4885PIM1 93/4885PIM3 353/4885 |
“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.