Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9810509 | 0.91 | ALDH1A1 (0.43) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810695 | 0.90 | ALDH1A1 (0.42) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810395 | 0.88 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810320 | 0.88 | CA1 (0.44) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810536 | 0.87 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810571 | 0.87 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810271 | 0.85 | ABCC1 (0.49) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810290 | 0.83 | SLC6A3 (0.41) | ALDH1A1GAAKDM4ELMNAHPGD | |
| SCHEMBL9810332 | 0.81 | RARB (0.45) | LMNAHSD17B10CACNA1DTP53TSHR | |
| SCHEMBL9810405 | 0.81 | CYP2C9 (0.52) | ALDH1A1KDM4ELMNAHPGDHSD17B10 |
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-5068389-A | TERTIARY ALCOHOLS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |