Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.46 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.43 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | PDE8A | O60658 | 1/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 3/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TK1 | P04183 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19553692 | 0.86 | ADORA2A (0.53) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL28476413 | 0.86 | ADORA2A (0.57) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL12769342 | 0.81 | ADORA2A (0.49) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL23982233 | 0.81 | CDK1 (0.60) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL7209460 | 0.76 | PDE4A (0.62) | ADORA2ACDK1ADORA2BADORA1PDE8A | |
| SCHEMBL19553504 | 0.75 | ADORA2A (0.52) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL28932544 | 0.74 | ADORA2A (0.47) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL67131 | 0.73 | ADORA2A (0.74) | ADORA2AADORA2BNSD3ADORA1 | |
| SCHEMBL19554119 | 0.73 | ADORA2A (0.51) | ADORA2ACDK1CCNB1CCNE1CDK2 | |
| SCHEMBL19553577 | 0.73 | ADORA2A (0.51) | ADORA2ACDK1CCNB1CCNE1CDK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8518885-B2 | Heterocyclic peptide ketoamides | GEORGIA TECH RESEARCH CORPORATION (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110053858-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-03-03 | — | — | US | disclosed |
| EP-2252310-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | Georgia Tech Research Corporation (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009099416-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009099416-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-08-13 | — | — | WO | 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-20110053858-A1 | HETEROCYCLIC PEPTIDE KETOAMIDES | CAPNS1, CAPN1, CAPN2 | ADORA2A 4382/4885CDK1 290/4885CCNB1 563/4885 |
“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.