Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SELP | P16109 | 1/20 | 0.38 |
| ▸ | SELE | P16581 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6935740 | 0.85 | ITGB3 (0.46) | KMT2ASMN1; SMN2HTTALDH1A1PARP1 | |
| SCHEMBL6939377 | 0.71 | SELP (0.36) | SELPSELEPARP1PARP10NOS3 | |
| SCHEMBL7099324 | 0.70 | ITGB3 (0.41) | LMNAALDH1A1GAAMAPTSELP | |
| SCHEMBL6937805 | 0.70 | NPY4R (0.34) | ITGB3ITGA2B | |
| SCHEMBL23518466 | 0.68 | ITGB3 (0.50) | KMT2ALMNASMN1; SMN2HTTALDH1A1 | |
| SCHEMBL7864280 | 0.68 | ITGB3 (0.62) | KMT2ALMNASMN1; SMN2HTTUSP2 | |
| SCHEMBL8075751 | 0.68 | NOS3 (0.50) | GAAMAPTSELPSELEPARP1 | |
| SCHEMBL1162624 | 0.68 | NOS3 (0.50) | GAAMAPTSELPSELEPARP1 | |
| SCHEMBL7261904 | 0.67 | KMT2A (0.41) | KMT2ASELPSELEITGB3ITGA2B | |
| SCHEMBL4407485 | 0.66 | ATM (0.56) | KMT2ALMNASMN1; SMN2ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |