Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL213965 | 1.00 | VCAM1 (0.56) | VCAM1ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL30623363 | 0.86 | TSHR (0.53) | VCAM1ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL18766395 | 0.86 | TSHR (0.53) | VCAM1ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL10270605 | 0.85 | TSHR (0.58) | VCAM1ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL4520586 | 0.83 | VCAM1 (0.53) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL515466 | 0.82 | MAPT (0.54) | ALDH1A1POLBMAPTSMN1; SMN2 | |
| SCHEMBL811582 | 0.81 | VCAM1 (0.54) | VCAM1ALDH1A1KDM4EPOLB | |
| SCHEMBL18653119 | 0.81 | VCAM1 (0.51) | VCAM1ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL627966 | 0.81 | VCAM1 (0.51) | VCAM1ALDH1A1KDM4EPOLBKDM1A | |
| SCHEMBL671271 | 0.81 | VCAM1 (0.54) | VCAM1ALDH1A1KDM4EPOLBMAPT |
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 1 patent. 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 |