Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18946425 | 0.82 | CYP2D6 (0.36) | CYP2D6 | |
| Water SCHEMBL11525809 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL10943894 | 0.76 | GPR84 (0.48) | ADRB2 | |
| SCHEMBL10949711 | 0.76 | GPR84 (0.48) | ADRB2 | |
| SCHEMBL10948749 | 0.76 | GPR84 (0.48) | ADRB2 | |
| SCHEMBL10950070 | 0.76 | GPR84 (0.48) | ADRB2 | |
| SCHEMBL15509647 | 0.75 | ADRB2 (0.47) | ADRB2ADRB1CYP2D6ADRB3PTGS1 | |
| SCHEMBL15641237 | 0.75 | ADRB2 (0.33) | ADRB2ADRB1CYP2D6ADRB3PTGS1 | |
| SCHEMBL2058210 | 0.73 | — | — | |
| SCHEMBL8062864 | 0.73 | — | — |
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-2627720-A1 | DIAMINO ALCOHOLS AND STRONG BASE AS NEUTRALIZERS FOR LOW VOC COATING COMPOSITIONS | Dow Global Technologies LLC (US) | 2013-08-21 | — | — | EP | claimed |
| WO-2012087264-A1 | DIAMINO ALCOHOLS AND STRONG BASE AS NEUTRALIZERS FOR LOW VOC COATING COMPOSITIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-06-28 | — | — | WO | claimed |