Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC15A1 | P46059 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL84418 | 1.00 | SLC15A1 (0.63) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL6566591 | 1.00 | SLC15A1 (0.63) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| Sulfuric Acid SCHEMBL2424723 | 0.94 | SLC15A1 (0.58) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| Sulfuric Acid SCHEMBL2424724 | 0.94 | SLC15A1 (0.58) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL22596734 | 0.87 | SLC15A1 (0.58) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL10140619 | 0.87 | SLC15A1 (0.58) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL28209173 | 0.87 | SLC15A1 (0.60) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL111390 | 0.86 | ALDH1A1 (0.61) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| SCHEMBL14194794 | 0.85 | SLC15A1 (0.58) | SLC15A1ALDH1A1MAPK1L3MBTL1MMP9 | |
| Hydrochloric Acid SCHEMBL19511476 | 0.84 | ALDH1A1 (0.59) | SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1912972-B1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2011-09-28 | — | — | EP | disclosed |
| CN-101558049-A | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2009-10-14 | — | — | CN | disclosed |
| CN-101253167-A | Substituted imidazole compounds as KSP inhibitors | NOVARTIS VACCINES & DIAGNOSTIC (CH) | 2008-08-27 | — | — | 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 |
| EP-1082302-A1 | A VLA-4 INHIBITOR: OMEPUPA-V | BIOGEN, INC. (US) | 2001-03-14 | — | — | EP | disclosed |
| EP-0755374-B1 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO INC (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999061421-A1 | A NOVEL VLA-4 INHIBITOR: oMePUPA-V | BIOGEN, INC. (US) | 1999-12-02 | — | — | WO | disclosed |
| EP-0866705-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-03-03 | — | — | EP | disclosed |
| US-5852045-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0866705-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-09-30 | — | — | EP | disclosed |
| EP-0755374-A4 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO INC (US) | 1998-09-16 | — | — | EP | disclosed |
| EP-0445796-B1 | Derivatives of acetic acid containing peptide bonds | HOFFMANN LA ROCHE (CH) | 1998-06-17 | — | — | EP | disclosed |
| WO-1997014417-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| EP-0755374-A1 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | Merck & Co., Inc. (a New Jersey corp.) (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995027727-A2 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO., INC. (US) | 1995-10-19 | — | — | WO | disclosed |
| US-5430024-A | Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| US-5273982-A | An amidinoaryleneamidoalkylpiperazinyleneacetic acid | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0445796-A2 | Derivatives of acetic acid | F. HOFFMANN-LA ROCHE AG (CH) | 1991-09-11 | — | — | EP | disclosed |