Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10780118 | 0.81 | CYP2D6 (0.59) | CYP2D6THRBALDH1A1CA1KDM4E | |
| SCHEMBL6979530 | 0.78 | SLC6A3 (0.39) | THRBALDH1A1SLC6A3LMNA | |
| SCHEMBL809542 | 0.75 | CYP2D6 (0.37) | CYP2D6ALDH1A1CA1MEN1PKM | |
| SCHEMBL6970440 | 0.74 | CYP2D6 (0.48) | CYP2D6ALDH1A1CA1KDM4ECYP2C19 | |
| SCHEMBL6977414 | 0.74 | CYP2D6 (0.51) | CYP2D6ALDH1A1 | |
| SCHEMBL6286943 | 0.73 | CYP2D6 (0.49) | CYP2D6THRBALDH1A1CA1SLC6A3 | |
| SCHEMBL11265157 | 0.73 | CYP2D6 (0.49) | CYP2D6THRBALDH1A1CA1SLC6A3 | |
| SCHEMBL9518399 | 0.73 | CYP2D6 (0.49) | CYP2D6THRBALDH1A1CA1SLC6A3 | |
| SCHEMBL809469 | 0.73 | CYP2D6 (0.40) | CYP2D6ALDH1A1CA1KMT2A | |
| SCHEMBL11639674 | 0.72 | CYP2D6 (0.48) | CYP2D6THRBALDH1A1CA1SLC6A3 |
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 |