Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | STAT6 | P42226 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28826509 | 0.82 | HSP90AA1 (0.45) | ALDH1A1TP53HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL12095514 | 0.75 | PTPRC (0.47) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL8964786 | 0.74 | APEX1 (0.39) | ALDH1A1TP53HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL1271141 | 0.73 | APEX1 (0.41) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18012410 | 0.72 | S100A4 (0.47) | ALDH1A1HSD17B10PGRLMNASMN1; SMN2 | |
| SCHEMBL17050176 | 0.70 | PTPRC (0.45) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL17050175 | 0.70 | PTPRC (0.45) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL17050178 | 0.70 | PTPRC (0.45) | ALDH1A1CYP1A2CYP3A4LMNATDP1 | |
| SCHEMBL28826500 | 0.70 | PDK2 (0.60) | ALDH1A1MAPK1PGRLMNASMN1; SMN2 | |
| SCHEMBL29250318 | 0.70 | SNCA (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6MAPK1 |
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-105418515-A | Fluorine and imidazole derivative and preparation method thereof | UNIV SHANGHAI | 2016-03-23 | — | — | CN | disclosed |