Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | NQO1 | P15559 | 1/20 | 0.30 |
| ▸ | APAF1 | O14727 | 1/20 | 0.30 |
| ▸ | CDC25B | P30305 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL50100 | 0.88 | CYP1A2 (0.43) | CYP1A2ERBB2FYNMAOAACHE | |
| Ammonia Solution, Strong SCHEMBL8665916 | 0.87 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| Trimethylammonium SCHEMBL5191404 | 0.82 | CYP1A2 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL16990771 | 0.79 | CYP1A2 (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| Morpholine SCHEMBL11515192 | 0.78 | APEX1 (0.32) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL7572908 | 0.78 | HTR1B (0.36) | CYP1A2ERBB2FYNMAOAACHE | |
| Ammonia Solution, Strong SCHEMBL1010153 | 0.76 | MCHR1 (0.35) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL49160 | 0.76 | PRKDC (0.36) | CYP1A2PRKDCALDH1A1KDM4EAPAF1 | |
| SCHEMBL19259375 | 0.76 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| Iodide SCHEMBL21808443 | 0.76 | ERBB2 (0.33) | CYP1A2ERBB2FYNMAOAACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000069959-A2 | POLYMER LAYERED INORGANIC NANOCOMPOSITES | NATIONAL INSTITUTE OF STANDARDS & TECHNOLOGY (US) | 2000-11-23 | — | — | WO | disclosed |