Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | NPY2R | P49146 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | BMP1 | P13497 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5850848 | 0.92 | L3MBTL1 (0.36) | L3MBTL1NPY2RMEN1KMT2AALDH1A1 | |
| SCHEMBL5852560 | 0.92 | CYP2C9 (0.45) | CYP1A2CYP2C9CYP2C19RAB9AL3MBTL1 | |
| SCHEMBL5851162 | 0.91 | CYP2C9 (0.41) | CYP1A2CYP2C9CYP2C19RAB9AL3MBTL1 | |
| SCHEMBL5852329 | 0.86 | PTGES (0.33) | RAB9AMEN1KMT2AALDH1A1STAT3 | |
| SCHEMBL5852564 | 0.84 | NPY2R (0.38) | CYP1A2CYP2C9CYP2C19L3MBTL1NPY2R | |
| SCHEMBL5850900 | 0.83 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19RAB9AL3MBTL1 | |
| SCHEMBL5850614 | 0.83 | PTGES (0.31) | STAT3 | |
| SCHEMBL5852118 | 0.80 | PSEN1 (0.35) | RAB9AMEN1KMT2AGAAALDH1A1 | |
| SCHEMBL7451631 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19RAB9AL3MBTL1 | |
| SCHEMBL5850585 | 0.77 | PTGES (0.36) | RAB9AKMT2AALDH1A1 |
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-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 |