Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.51 |
| ▸ | SCN4A | P35499 | 1/20 | 0.51 |
| ▸ | MC3R | P41968 | 1/20 | 0.51 |
| ▸ | HTR3A | P46098 | 1/20 | 0.51 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9515833 | 0.85 | CA2 (0.63) | ALDH1A1GAACYP1A2CYP2C9LTA4H | |
| SCHEMBL8623174 | 0.84 | ALDH1A1 (0.68) | ALDH1A1GAAACHEMAPTKDM4E | |
| SCHEMBL1066727 | 0.83 | MAPT (0.59) | ALDH1A1MAPTHPGDCYP1A2CYP2C9 | |
| SCHEMBL10915942 | 0.83 | ALDH1A1 (0.71) | ALDH1A1GAAACHEMAPTKDM4E | |
| SCHEMBL6325836 | 0.81 | ALDH1A1 (0.69) | ALDH1A1GAAACHEMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL10946103 | 0.81 | ALDH1A1 (0.69) | ALDH1A1GAAACHEMAPTKDM4E | |
| SCHEMBL1395934 | 0.80 | ALDH1A1 (0.71) | ALDH1A1GAAMAPTKDM4EPOLB | |
| SCHEMBL16602362 | 0.80 | ALDH1A1 (0.67) | ALDH1A1GAAACHEMAPTKDM4E | |
| SCHEMBL13990753 | 0.79 | ALDH1A1 (0.65) | ALDH1A1GAAACHEMAPTKDM4E | |
| SCHEMBL16602357 | 0.78 | MAPT (0.61) | ALDH1A1GAAACHEMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5411984-A | Antitumor | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 1995-05-02 | — | — | US | disclosed |