Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | DUT | P33316 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.34 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 1/20 | 0.34 |
| ▸ | CPA3 | P15088 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL4358911 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MMP12DUTKMT2APDPK1 | |
| SCHEMBL1114512 | 0.82 | TDP1 (0.42) | ALDH1A1 | |
| Iodobenzene SCHEMBL4350736 | 0.76 | MAOB (0.43) | ALDH1A1 | |
| Iodobenzene SCHEMBL27324928 | 0.75 | ALDH1A1 (0.56) | ALDH1A1KMT2ATSHRMEN1NPC1 | |
| Iodobenzene SCHEMBL4361216 | 0.75 | ALDH1A1 (0.38) | ALDH1A1 | |
| Iodobenzene SCHEMBL28157391 | 0.74 | ALDH1A1 (0.54) | ALDH1A1KMT2ATSHRMEN1NPC1 | |
| Iodobenzene SCHEMBL29291766 | 0.74 | MMP12 (0.39) | ALDH1A1MMP12KMT2AMEN1CYP3A4 | |
| SCHEMBL3503207 | 0.73 | TDP1 (0.38) | ALDH1A1CYP3A4 | |
| Iodobenzene SCHEMBL29291767 | 0.73 | TDP1 (0.45) | ALDH1A1TSHRCYP3A4 | |
| Iodobenzene SCHEMBL4348106 | 0.73 | TDP1 (0.45) | ALDH1A1MMP12DUTKMT2APDPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2278975-A1 | NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF | Cardioxyl Pharmaceuticals Inc. (US) | 2011-02-02 | — | — | EP | disclosed |
| WO-2009137717-A1 | NOVEL NITROSO COMPOUNDS AS NITROXYL DONORS AND METHODS OF USE THEREOF | CARDIOXYL PHARMACEUTICALS INC. (US) | 2009-11-12 | — | — | WO | disclosed |