Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPR3 | P17342 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL38032 | 0.94 | EPHX1 (0.40) | CYP2D6CACNA1BITGB3ITGA2BHDAC1 | |
| SCHEMBL38034 | 0.94 | EPHX1 (0.40) | CYP2D6CACNA1BITGB3ITGA2BHDAC1 | |
| SCHEMBL38058 | 0.80 | EPHX1 (0.40) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL38057 | 0.80 | EPHX1 (0.40) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL10825239 | 0.79 | EPHX1 (0.43) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL19744864 | 0.79 | EPHX1 (0.43) | CYP2D6CACNA1BHDAC3HDAC1HDAC2 | |
| SCHEMBL7432656 | 0.79 | EPHX2 (0.42) | CYP2C9NPR3CYP2C19POLBSMN1; SMN2 | |
| SCHEMBL7432662 | 0.79 | EPHX2 (0.42) | CYP2C9NPR3CYP2C19POLBSMN1; SMN2 | |
| SCHEMBL25076244 | 0.78 | KMT2A (0.39) | CYP2C9NPR3CYP2C19CA12POLB | |
| SCHEMBL15075041 | 0.76 | CYP2D6 (0.54) | CYP2D6CACNA1BCYP2C9CYP2C19CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0135429-A1 | The synthesis of cyclopropane amino acids and peptides | THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 1985-03-27 | — | — | EP | disclosed |