Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL29291767 | 1.00 | TDP1 (0.45) | TDP1ABCB1ALDH1A1POLBMAPK1 | |
| Iodobenzene SCHEMBL4348106 | 0.86 | TDP1 (0.45) | TDP1ABCB1ALDH1A1POLBMAPK1 | |
| Iodobenzene SCHEMBL1114704 | 0.86 | TDP1 (0.45) | TDP1ABCB1ALDH1A1POLBMAPK1 | |
| Iodobenzene SCHEMBL1114451 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHR | |
| Iodobenzene SCHEMBL4358911 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHR | |
| Iodobenzene SCHEMBL29291766 | 0.72 | MMP12 (0.39) | ABCB1ALDH1A1POLBCYP3A4MAPT | |
| Iodobenzene SCHEMBL27324928 | 0.71 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPT | |
| SCHEMBL27519414 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPK1CYP3A4TSHRMAPT | |
| SCHEMBL7767134 | 0.70 | TDP1 (0.55) | TDP1ABCB1ALDH1A1POLBMAPK1 | |
| SCHEMBL12846719 | 0.70 | TDP1 (0.75) | TDP1ABCB1ALDH1A1POLBMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102076342-B | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-06-10 | — | — | CN | disclosed |
| CN-102076342-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2011-05-25 | — | — | CN | disclosed |