Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5859743 | 0.94 | KMT2A (0.51) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5860871 | 0.92 | KMT2A (0.48) | NPSR1KMT2AITGB1ITGA4MAPT | |
| SCHEMBL5861047 | 0.92 | KMT2A (0.59) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5862666 | 0.92 | KMT2A (0.49) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5859893 | 0.87 | KMT2A (0.60) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL6150500 | 0.87 | KMT2A (0.55) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5859997 | 0.85 | KMT2A (0.64) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5861027 | 0.84 | KMT2A (0.47) | NPSR1KMT2AITGB1ITGA4MAPT | |
| SCHEMBL5859608 | 0.84 | KMT2A (0.48) | NPSR1KMT2AALDH1A1ITGB1ITGA4 | |
| SCHEMBL5862652 | 0.84 | KMT2A (0.44) | NPSR1KMT2AITGB1ITGA4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144364-B1 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2005-07-13 | — | — | EP | claimed |