Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 12/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL484946 | 0.78 | CYP3A4 (0.60) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL485160 | 0.76 | USP2 (0.44) | CYP3A4ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15378006 | 0.75 | USP2 (0.43) | CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL485435 | 0.72 | HIF1A (0.67) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL2365586 | 0.72 | HIF1A (0.52) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL484568 | 0.71 | CYP3A4 (0.77) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL2306453 | 0.70 | HIF1A (0.63) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL484823 | 0.70 | HIF1A (0.74) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL484745 | 0.69 | ALDH1A1 (0.50) | CYP3A4ALDH1A1NAMPTCYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL2363733 | 0.69 | CYP3A4 (0.56) | CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9 |
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-2411381-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | WO | disclosed |