Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | LDHB | P07195 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25430673 | 0.78 | TAAR1 (0.43) | SMN1; SMN2ALDH1A1BCL2BCL2L1PAX8 | |
| SCHEMBL10749791 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPSR1LMNABCL2BCL2L1 | |
| SCHEMBL28297870 | 0.75 | PTPN1 (0.41) | TSHRLDHALDHBBCL2BCL2L1 | |
| SCHEMBL28606647 | 0.74 | MEN1 (0.42) | ALDH1A1MAPTTSHRLDHALDHB | |
| SCHEMBL28790249 | 0.73 | PLA2G10 (0.45) | ALDH1A1MAPTNPSR1BCL2BCL2L1 | |
| SCHEMBL28295740 | 0.73 | PLA2G10 (0.45) | ALDH1A1MAPTNPSR1BCL2BCL2L1 | |
| SCHEMBL1564325 | 0.72 | MET (0.49) | L3MBTL1BCL2BCL2L1PAX8TAAR1 | |
| SCHEMBL12873970 | 0.72 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1997421 | 0.70 | METAP2 (0.42) | SMN1; SMN2ALDH1A1GAAPOLBTACR1 | |
| Hydrochloric Acid SCHEMBL28165652 | 0.70 | MET (0.47) | SMN1; SMN2L3MBTL1LMNAPAX8TAAR1 |
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-4639457-A | CARDIOTONIC AGENTS | MERCK & CO., INC. (US) | 1987-01-27 | — | — | US | disclosed |