Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16391277 | 0.85 | CYP2C19 (0.40) | CYP2C19CYP3A4SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL875700 | 0.85 | CYP2C19 (0.40) | CYP2C19CYP3A4SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL7722193 | 0.84 | ALDH1A1 (0.39) | CYP2C19CYP3A4SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL4812312 | 0.81 | CYP2C19 (0.43) | CYP2C19CYP3A4SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL5949812 | 0.76 | POLB (0.41) | SMN1; SMN2ALDH1A1TSHRPOLBMAPT | |
| SCHEMBL165219 | 0.76 | CYP2C19 (0.34) | CYP2C19CYP2C9MEN1KMT2A | |
| SCHEMBL26013455 | 0.72 | ATM (0.40) | CYP2C19CYP3A4SMN1; SMN2F10POLB | |
| SCHEMBL9970859 | 0.72 | ALDH1A1 (0.38) | CYP2C19SMN1; SMN2ALDH1A1TSHRMEN1 | |
| SCHEMBL6092886 | 0.71 | SMN1; SMN2 (0.42) | CYP2C19CYP3A4SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL20390051 | 0.69 | OPRM1 (0.47) | CYP2C19CYP3A4ALDH1A1OPRM1MEN1 |
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-2323970-A1 | CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010015655-A1 | CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2010-02-11 | — | — | WO | disclosed |