Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | C5 | P01031 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 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 | |
|---|---|---|---|---|
| SCHEMBL2430981 | 0.88 | ITGB1 (0.49) | MAOAADRA1AITGB1ITGA4MET | |
| SCHEMBL2435546 | 0.83 | ITGB1 (0.48) | MAOAADRA1AITGB1ITGA4MET | |
| SCHEMBL2429639 | 0.82 | ITGB1 (0.59) | ITGB1ITGA4KMT2AMAPTMET | |
| SCHEMBL2433361 | 0.80 | ITGB1 (0.47) | MAOAADRA1AITGB1ITGA4ABCC4 | |
| SCHEMBL11176670 | 0.78 | MAOA (0.82) | MAOAADRA1AKMT2AMEN1MAPT | |
| SCHEMBL11178446 | 0.76 | MAOA (0.55) | MAOAADRA1APTGS2MAPT | |
| SCHEMBL2433627 | 0.73 | MAOA (0.48) | MAOAADRA1APTGS2MAPTPTGS1 | |
| SCHEMBL2434934 | 0.73 | ESR1 (0.60) | MAOAADRA1AKMT2AMEN1MAPT | |
| SCHEMBL2437936 | 0.71 | ITGB1 (0.49) | ITGB1ITGA4MET | |
| SCHEMBL11637637 | 0.71 | MAOA (0.56) | MAOAADRA1AKMT2APTGS2MEN1 |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |