Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL5991452 | 0.95 | IRAK4 (0.35) | IRAK4PDCD1LG2CD274 | |
| SCHEMBL29742940 | 0.81 | KMT2A (0.35) | CTSDCA1CA2CA4 | |
| SCHEMBL6444135 | 0.80 | NOS1 (0.37) | CTSDCA1CA2CA4 | |
| SCHEMBL1423906 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL2989773 | 0.77 | IRAK4 (0.32) | IRAK4CTSD | |
| SCHEMBL5991543 | 0.77 | IRAK4 (0.41) | IRAK4PDCD1LG2CD274 | |
| SCHEMBL11025505 | 0.77 | NOS3 (0.38) | CTSD | |
| SCHEMBL14285588 | 0.77 | IRAK4 (0.41) | IRAK4PDCD1LG2CD274 | |
| SCHEMBL9800093 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL7717336 | 0.76 | CYP1A2 (0.42) | CTSD |
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-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |