Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | KMO | O15229 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1551487 | 0.73 | MKNK1 (0.41) | L3MBTL1MKNK1MKNK2KDM4ECDC7 | |
| SCHEMBL3232701 | 0.72 | SIRT3 (0.36) | KMT2AL3MBTL1NOS3NOS2MKNK1 | |
| SCHEMBL2586506 | 0.72 | CDK8 (0.38) | L3MBTL1MKNK1MKNK2KDM4ECDC7 | |
| SCHEMBL11907122 | 0.69 | NOS3 (0.35) | NOS3NOS2MKNK1MKNK2CDC7 | |
| SCHEMBL602198 | 0.69 | NOS3 (0.38) | NOS3NOS2 | |
| SCHEMBL1881445 | 0.69 | NOS3 (0.38) | NOS3NOS2 | |
| SCHEMBL14353433 | 0.68 | KDM4E (0.37) | L3MBTL1HTTMKNK1MKNK2KDM4E | |
| SCHEMBL3355639 | 0.68 | KDM4E (0.39) | L3MBTL1NOS3NOS2MKNK1MKNK2 | |
| SCHEMBL790082 | 0.67 | NOS3 (0.36) | NOS3NOS2 | |
| SCHEMBL791272 | 0.67 | NOS3 (0.36) | KMT2ANOS3NOS2HSD17B10KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005040136-A1 | PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-05-06 | — | — | WO | disclosed |
| US-20050096323-A1 | Diketopiperazine derivatives to inhibit thrombin | NOVOSCIENCE PHARMA INC. (CA) | 2005-05-05 | — | — | US | disclosed |
| EP-1261608-B1 | DIKETOPIPERAZINE DERIVATIVES TO INHIBIT THROMBIN | BEST EXPRESS WORLDWIDE LTD TRU (VG) | 2004-04-28 | — | — | EP | disclosed |
| US-20030100562-A1 | Diketopiperazine derivatives to inhibit thrombin | NOVOSCIENCE PHARMA INC. (CA) | 2003-05-29 | — | — | 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 (2 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-20050096323-A1 | Diketopiperazine derivatives to inhibit thrombin | F3, F2, TFPI | KMT2A 858/4885L3MBTL1 1620/4885NOS3 3027/4885 |
| US-20030100562-A1 | Diketopiperazine derivatives to inhibit thrombin | TFPI, F2, F3 | KMT2A 982/4885L3MBTL1 2366/4885NOS3 3525/4885 |
“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.