Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 4/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CTSE | P14091 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434825 | 1.00 | HRH3 (0.40) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL6967287 | 0.88 | HRH3 (0.41) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL6207720 | 0.88 | MEN1 (0.36) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL2431931 | 0.88 | MEN1 (0.36) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL5152963 | 0.78 | GRIN1 (0.37) | BACE1 | |
| SCHEMBL14555857 | 0.74 | SLC6A2 (0.46) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL15723862 | 0.74 | SLC6A2 (0.46) | HRH3BACE1BACE2CTSDCTSE | |
| SCHEMBL589885 | 0.73 | CHRM2 (0.35) | CHRM2CHRM3 | |
| SCHEMBL464484 | 0.72 | HRH3 (0.52) | HRH3SLC6A2SLC6A3SLC6A4HRH1 | |
| SCHEMBL14037635 | 0.72 | HRH3 (0.52) | HRH3SLC6A2SLC6A3SLC6A4HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |