Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARD | Q03181 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7037738 | 0.96 | CES1 (0.42) | CES2CES1ALDH1A1THRBFNTA | |
| SCHEMBL7613776 | 0.90 | AKR1B1 (0.48) | CES2CES1ALDH1A1THRBFNTA | |
| SCHEMBL7607602 | 0.90 | CES2 (0.32) | CES2CES1CAMK2AALDH1A1THRB | |
| Ethylene Glycol SCHEMBL27893866 | 0.90 | CES1 (0.44) | CES2CES1ALDH1A1THRBFNTA | |
| SCHEMBL3458521 | 0.89 | CAMK2A (0.48) | CAMK2AFNTAFNTBHSD17B10TBXAS1 | |
| SCHEMBL7155030 | 0.88 | GPR84 (0.50) | CES2CES1ALDH1A1THRBFNTA | |
| SCHEMBL9450765 | 0.88 | CAMK2A (0.42) | CES2CES1CAMK2AALDH1A1THRB | |
| SCHEMBL6916130 | 0.87 | CES1 (0.50) | CES2CES1ALDH1A1THRBFNTA | |
| SCHEMBL22623 | 0.87 | — | — | |
| SCHEMBL2578200 | 0.85 | CES1 (0.48) | CES2CES1ALDH1A1THRBFNTA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1232212-A1 | COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS | Ciba SC Holding AG (CH) | 2002-08-21 | — | — | EP | disclosed |
| WO-2001038431-A1 | COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2001-05-31 | — | — | WO | disclosed |