Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 4/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27541181 | 1.00 | NPSR1 (0.48) | NPSR1ACEMMEACE2ALDH1A1 | |
| SCHEMBL5573305 | 0.81 | ACE (0.45) | ACEALDH1A1MAPTPOLBGAA | |
| SCHEMBL27514797 | 0.81 | ACE (0.45) | ACEALDH1A1MAPTPOLBGAA | |
| SCHEMBL27534943 | 0.81 | POLB (0.50) | ACEMMEACE2ALDH1A1MAPT | |
| SCHEMBL5570713 | 0.81 | POLB (0.50) | ACEMMEACE2ALDH1A1MAPT | |
| SCHEMBL7416066 | 0.75 | MME (0.47) | ACEMMEACE2ALDH1A1 | |
| SCHEMBL7416062 | 0.75 | MME (0.47) | ACEMMEACE2ALDH1A1 | |
| SCHEMBL7416059 | 0.74 | MME (0.45) | ACEMMEACE2ALDH1A1CA2 | |
| SCHEMBL7416053 | 0.74 | MME (0.45) | ACEMMEACE2ALDH1A1CA2 | |
| SCHEMBL12863002 | 0.73 | NPSR1 (0.69) | NPSR1ACEMMEACE2FPR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |