Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL809469 | 0.76 | CYP2D6 (0.40) | NOS3NOS1NOS2CA1CYP2D6 | |
| SCHEMBL809468 | 0.74 | CA1 (0.36) | NOS3NOS1NOS2CA1CYP2D6 | |
| SCHEMBL6980056 | 0.74 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL809542 | 0.73 | CYP2D6 (0.37) | NOS3NOS1NOS2CA1CYP2D6 | |
| SCHEMBL813507 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL6979683 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL809451 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL27165039 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL27204437 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA | |
| SCHEMBL27204438 | 0.72 | CA1 (0.53) | CA1ALDH1A1MAPTPOLBLMNA |
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 |