Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.48 |
| ▸ | CA1 | P00915 | 7/20 | 0.48 |
| ▸ | CA9 | Q16790 | 7/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SPR | P35270 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1487099 | 0.69 | ALDH1A1 (0.55) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL5585019 | 0.69 | MAPT (0.62) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL19864572 | 0.68 | ALDH1A1 (1.00) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL15170873 | 0.68 | ALDH1A1 (1.00) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL10259970 | 0.66 | RAB9A (0.63) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL8277152 | 0.66 | RAB9A (0.63) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL8276746 | 0.66 | RAB9A (0.63) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL28966756 | 0.66 | L3MBTL1 (0.57) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL23815497 | 0.66 | ALDH1A1 (0.50) | ALDH1A1HPGDL3MBTL1MAPTPOLB | |
| SCHEMBL8062364 | 0.66 | ALDH1A1 (0.51) | ALDH1A1HPGDL3MBTL1MAPTPOLB |
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-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 |