Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 5/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.37 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.37 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13741356 | 0.84 | ALDH1A1 (0.48) | L3MBTL1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL5149944 | 0.83 | L3MBTL1 (0.39) | MKNK1MCHR1L3MBTL1PARP1PARP2 | |
| SCHEMBL6208735 | 0.81 | MKNK1 (0.43) | MKNK1MCHR1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL21806476 | 0.80 | CA12 (0.49) | MKNK1MCHR1ALDH1A1MAPT | |
| SCHEMBL3529098 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL17782257 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL21806659 | 0.79 | MKNK1 (0.46) | MKNK1MCHR1CHRNB2CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL1652940 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL17782206 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28580499 | 0.77 | PRKAB2 (0.48) | MKNK1MCHR1CHRNB2CHRNA7CHRNA4 |
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 |