Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | GCGR | P47871 | 1/20 | 0.51 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | NME4 | O00746 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717434 | 0.86 | MAPK1 (0.71) | CA1CA2MAPK1SIRT5NME4 | |
| SCHEMBL5536198 | 0.84 | NAMPT (0.64) | EPHX2SIGMAR1MAPK1TMEM97DPP4 | |
| SCHEMBL15904200 | 0.83 | CA1 (0.56) | EPHX2CA1CA2MAPK1SIRT5 | |
| SCHEMBL5543873 | 0.83 | NAMPT (0.67) | EPHX2SIGMAR1MAPK1TMEM97DPP4 | |
| SCHEMBL20707157 | 0.83 | NAMPT (0.67) | EPHX2SIGMAR1MAPK1TMEM97DPP4 | |
| SCHEMBL4001580 | 0.83 | KDM4E (0.61) | EPHX2CA1CA2SIGMAR1TMEM97 | |
| SCHEMBL5515823 | 0.83 | NAMPT (0.67) | EPHX2SIGMAR1MAPK1TMEM97DPP4 | |
| SCHEMBL5546309 | 0.83 | NAMPT (0.67) | EPHX2SIGMAR1MAPK1TMEM97DPP4 | |
| SCHEMBL2430368 | 0.83 | EPHX2 (0.57) | EPHX2CA1CA2SIGMAR1TMEM97 | |
| SCHEMBL7644972 | 0.82 | SIGMAR1 (0.59) | EPHX2SIGMAR1MAPK1TMEM97DPP4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0445796-B1 | Derivatives of acetic acid containing peptide bonds | HOFFMANN LA ROCHE (CH) | 1998-06-17 | — | — | EP | 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 |