Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CRHR1 | P34998 | 5/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7896719 | 0.83 | CRHR1 (0.39) | PDK2CYP1A2CYP2A6CRHR1ELANE | |
| SCHEMBL4265966 | 0.79 | PDK2 (0.44) | PDK2CYP1A2CYP2A6CRHR1ELANE | |
| SCHEMBL5887429 | 0.78 | PDK2 (0.41) | PDK2CYP1A2CYP2A6CRHR1ELANE | |
| SCHEMBL8771223 | 0.75 | ELANE (0.53) | CYP1A2ELANETTRALDH1A1L3MBTL1 | |
| SCHEMBL16689869 | 0.74 | ACHE (0.46) | PDK2CYP1A2CYP2A6L3MBTL1SMN1; SMN2 | |
| SCHEMBL28927226 | 0.74 | PDK2 (0.41) | PDK2CYP1A2CYP2A6CRHR1ELANE | |
| SCHEMBL7896734 | 0.74 | PDK2 (0.41) | PDK2CYP1A2CYP2A6CRHR1ELANE | |
| SCHEMBL28600277 | 0.74 | ALDH1A1 (0.46) | PDK2CYP1A2CYP2A6CRHR1ALDH1A1 | |
| SCHEMBL28589830 | 0.74 | PLA2G7 (0.48) | PDK2CYP1A2CYP2A6ALDH1A1CYP1A1 | |
| SCHEMBL2558217 | 0.74 | LMNA (0.47) | PDK2CYP1A2CYP2A6ALDH1A1LMNA |
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 |