Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910651 | 1.00 | GAA (0.43) | GAANFKB1NFKB2RELABTK | |
| SCHEMBL7096995 | 0.88 | GAA (0.42) | GAANFKB1NFKB2RELABTK | |
| SCHEMBL7096998 | 0.88 | GAA (0.42) | GAANFKB1NFKB2RELABTK | |
| SCHEMBL8837660 | 0.86 | ACE (0.48) | GAABTKKMT2AL3MBTL1F2 | |
| SCHEMBL8837673 | 0.86 | ACE (0.48) | GAABTKKMT2AL3MBTL1F2 | |
| SCHEMBL8837664 | 0.86 | ACE (0.48) | GAABTKKMT2AL3MBTL1F2 | |
| SCHEMBL7902399 | 0.85 | ALDH1A1 (0.40) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL7902401 | 0.85 | ALDH1A1 (0.40) | GAANFKB1NFKB2RELAKMT2A | |
| SCHEMBL18414121 | 0.83 | GAA (0.42) | GAANFKB1NFKB2RELABTK | |
| SCHEMBL7455128 | 0.82 | KMT2A (0.55) | GAANFKB1NFKB2RELAKMT2A |
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-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |