Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | CMA1 | P23946 | 1/20 | 0.52 |
| ▸ | KLK7 | P49862 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PREP | P48147 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27471050 | 1.00 | CTRB1 (0.55) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL11596068 | 0.88 | CTRB1 (0.53) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL29535218 | 0.87 | CTRB1 (0.58) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL30689115 | 0.87 | KMT2A (0.51) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL30689109 | 0.86 | CMA1 (0.56) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL31627666 | 0.86 | CTRB1 (0.56) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL13745767 | 0.85 | KMT2A (0.58) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL5494817 | 0.85 | KMT2A (0.58) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL14130790 | 0.85 | CTRB1 (0.55) | CTRB1KMT2AMEN1CMA1KLK7 | |
| SCHEMBL17002153 | 0.84 | CTRB1 (0.53) | CTRB1KMT2AMEN1CMA1KLK7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1148350-C | Novel VLA-4 inhibitor: oMePUPA-V | ¸ | 2004-05-05 | — | — | CN | disclosed |
| EP-1082302-B1 | A VLA-4 INHIBITOR: OMEPUPA-V | BIOGEN INC (US) | 2003-12-17 | — | — | EP | disclosed |
| US-6495525-B1 | N-((4-(((2-METHYLPHENYLAMINO)CARBONYL)AMINO)PHENYL)ACETYL)-L -PROLYL-3-METHYL)-BETA-ALANINE; VERY LATE ANTIGEN-4 CELL ADHESION INHIBITOR; INFLAMMATION AND IMMUNE REACTIONS | BIOGEN, INC. | 2002-12-17 | — | — | US | disclosed |
| CN-1307561-A | Novel VLA-4 inhibitor: oMePUPA-V | BIOGEN INC (US) | 2001-08-08 | — | — | CN | disclosed |
| EP-1082302-A1 | A VLA-4 INHIBITOR: OMEPUPA-V | BIOGEN, INC. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999061421-A1 | A NOVEL VLA-4 INHIBITOR: oMePUPA-V | BIOGEN, INC. (US) | 1999-12-02 | — | — | WO | disclosed |