Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PREP | P48147 | 2/20 | 0.36 |
| ▸ | CELA1 | Q9UNI1 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28189505 | 0.90 | HTT (0.45) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL4612305 | 0.85 | KDM4E (0.56) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL3156904 | 0.82 | KDM4E (0.52) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL23809728 | 0.80 | BACE1 (0.52) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL3600800 | 0.80 | HSD17B10 (0.55) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL5438858 | 0.80 | CYP4F2 (0.47) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL9042745 | 0.78 | KDM4E (0.49) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL12299731 | 0.78 | KDM4E (0.49) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL10790928 | 0.78 | HTT (0.49) | KDM4EHTTHSD17B10GAATP53 | |
| SCHEMBL7233258 | 0.78 | KDM4E (0.49) | KDM4EHTTHSD17B10GAATP53 |
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-5905068-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1999-05-18 | — | — | US | disclosed |