Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 4/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4207227 | 0.83 | CA2 (0.49) | MAPTTDP1PKMPTGS1CA12 | |
| SCHEMBL4608472 | 0.80 | PKM (0.46) | PKMCA12CA1CA9CA2 | |
| Hydrochloric Acid SCHEMBL4609743 | 0.79 | PKM (0.45) | PKMCA12CA1CA9CA2 | |
| SCHEMBL20549321 | 0.76 | ALDH1A1 (0.49) | PKMCA12CA1CA9CA2 | |
| SCHEMBL4609359 | 0.76 | PKM (0.43) | PKMCA12CA1CA9CA2 | |
| SCHEMBL691733 | 0.76 | ALDH1A1 (0.56) | PKMCA12CA1CA9CA2 | |
| SCHEMBL70595 | 0.74 | MAPT (0.57) | MAPTTDP1PKMCA12CA1 | |
| SCHEMBL791503 | 0.74 | CA2 (0.50) | PKMCA12CA1CA9CA2 | |
| SCHEMBL1402474 | 0.74 | MAPT (0.61) | MAPTTDP1PKMCA12CA1 | |
| SCHEMBL4608782 | 0.73 | CA12 (0.44) | PKMCA12CA1CA9CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110179777-B | Pharmaceutical compositions comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-110179777-A | Medical composition comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-105142627-B | Pharmaceutical compositions comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-06-21 | — | — | CN | disclosed |