Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL15820158 | 0.98 | ESR1 (0.37) | ESR1GAAMAPTMAPK1ALDH1A1 | |
| SCHEMBL15820160 | 0.79 | ESR1 (0.34) | ESR1GAAMAPTMAPK1ALDH1A1 | |
| SCHEMBL28408749 | 0.77 | PRSS1 (0.40) | GAAMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL21112088 | 0.74 | — | — | |
| SCHEMBL15820157 | 0.69 | GAA (0.34) | GAAMAPTMAPK1ALDH1A1TP53 | |
| SCHEMBL6561636 | 0.69 | ESR1 (0.47) | ESR1MAPTALDH1A1TSHR | |
| SCHEMBL3846887 | 0.68 | CYP3A4 (0.43) | GAAMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL15820162 | 0.68 | GAA (0.33) | GAAMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL1367532 | 0.68 | TDP1 (0.44) | ESR1GAAALDH1A1TP53TSHR | |
| SCHEMBL11503436 | 0.68 | ALDH1A1 (0.44) | ESR1GAAMAPTMAPK1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150329728-A1 | AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS | ANGUS CHEMICAL COMPANY (US) | 2015-11-19 | — | — | US | disclosed |
| EP-2935477-A1 | AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS | ANGUS Chemical Company (US) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014099213-A1 | AMINE COMPOUNDS AND THEIR USE AS ZERO OR LOW VOC NEUTRALIZERS | ANGUS CHEMICAL COMPANY (US) | 2014-06-26 | — | — | WO | disclosed |