Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 2/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | GSK3A | P49840 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7978816 | 0.81 | AHR (0.51) | CES1AHRCMA1 | |
| SCHEMBL7478045 | 0.80 | CES1 (0.40) | CES1HTR6DNMT1ALDH1A1TP53 | |
| SCHEMBL7478394 | 0.68 | OPRM1 (0.38) | ALDH1A1MAPT | |
| SCHEMBL7479024 | 0.68 | RXRA (0.42) | HTR6ALDH1A1MAPT | |
| SCHEMBL7483973 | 0.62 | AHR (0.45) | PARP1AHRCMA1 | |
| SCHEMBL8873506 | 0.62 | ALDH1A1 (0.37) | CES1HTR6DNMT1ALDH1A1MAPT | |
| SCHEMBL18623469 | 0.60 | GRIN2D (0.46) | ALDH1A1GSK3BCDK5 | |
| SCHEMBL8871800 | 0.60 | CES1 (0.49) | CES1HTR6DNMT1ALDH1A1TP53 | |
| SCHEMBL8874319 | 0.59 | CES1 (0.47) | CES1HTR6DNMT1ALDH1A1AHR | |
| SCHEMBL8874292 | 0.59 | CES1 (0.52) | CES1HTR6PARP1DNMT1AHR |
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-6214826-B1 | NERVOUS SYSTEM DISORDERS | ZENECA LIMITED (GB) | 2001-04-10 | — | — | US | claimed |