Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.66 |
| ▸ | CHRNB2 | P17787 | 7/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1366070 | 0.89 | CYP11B2 (0.59) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL30434052 | 0.81 | CYP11B2 (0.88) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL6095783 | 0.81 | CYP11B2 (0.96) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL26154135 | 0.81 | CYP11B2 (0.88) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL23873927 | 0.80 | CYP11B2 (1.00) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL14029295 | 0.80 | CYP11B2 (1.00) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL2303598 | 0.80 | SLC18A3 (0.42) | CYP11B2CYP2D6CYP2C19TRPA1 | |
| SCHEMBL133904 | 0.80 | CYP11B2 (1.00) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 | |
| SCHEMBL240786 | 0.80 | SLC18A3 (0.42) | CYP11B2CYP2D6CYP2C19TRPA1 | |
| SCHEMBL2101586 | 0.78 | CYP11B2 (0.69) | CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |