Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 9/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | DAGLA | Q9Y4D2 | 5/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16803044 | 0.80 | ABL1 (0.47) | ABL1RIN1CYP2C19FAAHLMNA | |
| SCHEMBL16803157 | 0.79 | ABL1 (0.44) | ABL1RIN1CYP2C19FAAHL3MBTL1 | |
| SCHEMBL2539867 | 0.79 | CYP2C19 (0.61) | IDO1CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL2539865 | 0.79 | CYP2C19 (0.61) | IDO1CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL2541376 | 0.78 | PDE4D (0.46) | IDO1CYP2C19P2RX7LMNASMN1; SMN2 | |
| SCHEMBL2541379 | 0.78 | PDE4D (0.46) | IDO1CYP2C19P2RX7LMNASMN1; SMN2 | |
| SCHEMBL16803082 | 0.78 | ABL1 (0.49) | ABL1RIN1CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL16803040 | 0.78 | ABL1 (0.43) | ABL1RIN1FAAHP2RX7L3MBTL1 | |
| SCHEMBL16803095 | 0.77 | ALDH1A1 (0.49) | IDO1CYP2C19P2RX7LMNASMN1; SMN2 | |
| SCHEMBL12261625 | 0.76 | IDO1 (0.44) | IDO1CYP2C19P2RX7SMN1; SMN2L3MBTL1 |
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-2560975-B1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2015-06-17 | — | — | EP | disclosed |