Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 5/20 | 0.37 |
| ▸ | HTR3A | P46098 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.36 |
| ▸ | HTR5A | P47898 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5887682 | 0.83 | HTR7 (0.58) | HTR7PDK2CYP1A2CYP2A6HTR1A | |
| SCHEMBL4265966 | 0.78 | PDK2 (0.44) | PDK2CYP1A2CYP2A6ALDH1A1L3MBTL1 | |
| SCHEMBL5887732 | 0.77 | BRD9 (0.41) | HTR7HTR1AHTR3ASLC6A4SLC6A2 | |
| SCHEMBL16050969 | 0.74 | CRHR1 (0.39) | PDK2CYP1A2CYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL3282090 | 0.73 | TSHR (0.43) | HTR7CYP1A2HTR1AHTR3ACYP3A4 | |
| SCHEMBL5887765 | 0.72 | PDK2 (0.41) | PDK2CYP1A2CYP2A6ALDH1A1L3MBTL1 | |
| SCHEMBL7896734 | 0.72 | PDK2 (0.41) | PDK2CYP1A2CYP2A6ALDH1A1L3MBTL1 | |
| SCHEMBL28600277 | 0.72 | ALDH1A1 (0.46) | PDK2CYP1A2CYP2A6ALDH1A1L3MBTL1 | |
| SCHEMBL2558217 | 0.72 | LMNA (0.47) | PDK2CYP1A2CYP2A6PTGS2ALDH1A1 | |
| SCHEMBL16689869 | 0.72 | ACHE (0.46) | PDK2CYP1A2CYP2A6PTGS1PTGS2 |
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 |