Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.58 |
| ▸ | HRH1 | P35367 | 3/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.45 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10231904 | 0.90 | NAAA (0.57) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL5204218 | 0.86 | HRH1 (0.79) | NAAAHRH1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3244625 | 0.86 | NAAA (0.50) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL29856 | 0.85 | HRH1 (0.71) | HRH1EPHX2SLC6A4SLC6A2SLC6A3 | |
| Ammonia Solution, Strong SCHEMBL8078606 | 0.83 | HRH1 (0.68) | HRH1EPHX2SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL5390747 | 0.83 | NAAA (0.47) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL5375025 | 0.83 | NAAA (0.47) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL6573174 | 0.83 | NAAA (0.47) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL5375027 | 0.83 | NAAA (0.47) | NAAAHRH1EPHX2SLC6A4SLC6A2 | |
| SCHEMBL13703555 | 0.82 | HRH1 (0.71) | NAAAHRH1SLC6A4SLC6A2SLC6A3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | claimed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | claimed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | claimed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | claimed |
| EP-1034164-B1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2004-05-19 | — | — | EP | disclosed |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000071572-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |