Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.41 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL644793 | 0.83 | PLAU (0.46) | PLAUSMN1; SMN2KEAP1NFE2L2L3MBTL1 | |
| SCHEMBL16013722 | 0.80 | KMT2A (0.51) | PLAUKMT2ASMN1; SMN2KEAP1NFE2L2 | |
| SCHEMBL16057871 | 0.75 | RAB9A (0.44) | KMT2ASMN1; SMN2CA12CA9MAPT | |
| SCHEMBL6502911 | 0.75 | ADAM17 (0.54) | PLAU | |
| SCHEMBL5850857 | 0.75 | ITGB1 (0.64) | CA12CA9ALDH1A1 | |
| SCHEMBL7408145 | 0.73 | KMT2A (0.46) | KMT2ASMN1; SMN2CA12CA9MAPT | |
| SCHEMBL13898992 | 0.73 | MCL1 (0.50) | SMN1; SMN2HTT | |
| SCHEMBL27183093 | 0.71 | KMT2A (0.61) | KMT2ASMN1; SMN2CYP2C19ALDH1A1HPGD | |
| SCHEMBL7410460 | 0.71 | MAPT (0.45) | KMT2ASMN1; SMN2CA12CA9MAPT | |
| SCHEMBL642883 | 0.71 | ALDH1A1 (0.43) | SMN1; SMN2MAPTKEAP1NFE2L2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |