Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16766773 | 0.91 | PPARG (0.42) | PPARGL3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL27810098 | 0.85 | ESR1 (0.39) | PPARGL3MBTL1TSHRMAPK1KDM4E | |
| SCHEMBL7360779 | 0.83 | TP53 (0.41) | PPARGTSHRHTR2ATP53 | |
| SCHEMBL9251200 | 0.83 | L3MBTL1 (0.37) | PPARGL3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL9251201 | 0.83 | L3MBTL1 (0.37) | PPARGL3MBTL1TSHRTDP1MAPK1 | |
| SCHEMBL9222839 | 0.81 | TSHR (0.46) | L3MBTL1TSHRTDP1MAPK1GAA | |
| SCHEMBL8120909 | 0.79 | MAPT (0.43) | TSHRMAPK1KDM4EGAAMAPT | |
| SCHEMBL2216604 | 0.79 | MAPT (0.43) | TSHRMAPK1KDM4EGAAMAPT | |
| SCHEMBL2218168 | 0.79 | MAPT (0.43) | TSHRMAPK1KDM4EGAAMAPT | |
| SCHEMBL29599645 | 0.79 | MAPT (0.43) | TSHRMAPK1KDM4EGAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001975-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| EP-1001973-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006433-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| WO-1999006436-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |