Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 2/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 5/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5850731 | 0.93 | TAS2R14 (0.38) | TAS2R14SCN4AHTR2CALDH1A1HTR2B | |
| SCHEMBL5850625 | 0.92 | PTGES (0.34) | PTGESTAS2R14SCN4AHTR2CALDH1A1 | |
| SCHEMBL5852329 | 0.91 | PTGES (0.33) | PTGESTAS2R14SCN4AHTR2CALDH1A1 | |
| SCHEMBL5852564 | 0.86 | NPY2R (0.38) | ALDH1A1KMT2A | |
| SCHEMBL5852560 | 0.85 | CYP2C9 (0.45) | ALDH1A1RAB9AKMT2A | |
| SCHEMBL5852118 | 0.85 | PSEN1 (0.35) | TAS2R14SCN4AHTR2CALDH1A1HTR2B | |
| SCHEMBL5850597 | 0.85 | CYP2D6 (0.36) | TAS2R14HTR2C | |
| SCHEMBL5850614 | 0.84 | PTGES (0.31) | PTGESSCN4A | |
| SCHEMBL5850526 | 0.79 | ALDH1A1 (0.42) | ALDH1A1LMNAMAPTRAB9AKMT2A | |
| SCHEMBL5850848 | 0.78 | L3MBTL1 (0.36) | ALDH1A1KMT2A |
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 6 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 | claimed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| 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 |