Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 9/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL6712491 | 0.97 | MMP9 (0.48) | MMP9MAPTITGB1ITGA4LMNA | |
| SCHEMBL7189352 | 0.90 | MMP9 (0.42) | MMP9MAPTITGB1ITGA4LMNA | |
| SCHEMBL6709350 | 0.89 | ALDH1A1 (0.46) | MMP9MAPTITGB1ITGA4SMN1; SMN2 | |
| SCHEMBL7421577 | 0.88 | MMP9 (0.37) | MMP9MAPTITGB1ITGA4LMNA | |
| SCHEMBL6712429 | 0.88 | LMNA (0.40) | MMP9MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL7320647 | 0.85 | THRB (0.39) | MMP9MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL7319356 | 0.85 | CA1 (0.37) | MMP9MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL5690666 | 0.83 | MAPT (0.37) | MMP9MAPTLMNASMN1; SMN2MEN1 | |
| SCHEMBL6714601 | 0.82 | ALDH1A1 (0.45) | MAPTSMN1; SMN2MEN1HTTKMT2A | |
| SCHEMBL6708265 | 0.81 | ALDH1A1 (0.44) | MAPTSMN1; SMN2MEN1KMT2ANPC1 |
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-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | disclosed |