Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 4/20 | 0.36 |
| ▸ | EHMT2 | Q96KQ7 | 3/20 | 0.36 |
| ▸ | EHMT1 | Q9H9B1 | 3/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8059369 | 0.77 | RAPGEF4 (0.43) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL29834856 | 0.76 | ACHE (0.41) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL5887510 | 0.70 | ACHE (0.53) | TSHRACHELMNAALOX12BBOX1 | |
| SCHEMBL29006202 | 0.70 | ACHE (0.50) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL150725 | 0.68 | BBOX1 (0.60) | CYP2A6TSHRACHELMNAALOX12 | |
| SCHEMBL5887622 | 0.67 | ACHE (0.43) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL6676026 | 0.66 | RAPGEF4 (0.43) | CYP1A2CYP2A6TSHRACHELMNA | |
| Toluene SCHEMBL9806472 | 0.65 | ACHE (0.61) | CYP1A2CYP2A6TSHRACHELMNA | |
| SCHEMBL6477690 | 0.65 | BBOX1 (0.56) | TSHRACHELMNAALOX12BBOX1 | |
| Phosphine SCHEMBL14917741 | 0.65 | BBOX1 (0.56) | TSHRACHELMNAALOX12BBOX1 |
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-7112697-B1 | Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts | UNIVERSITY OF MASSACHUSETTS (US) | 2006-09-26 | — | — | US | disclosed |