Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 17/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.56 |
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL484568 | 0.88 | CYP3A4 (0.77) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL484571 | 0.83 | CYP3A4 (0.70) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL485072 | 0.82 | CYP3A4 (0.67) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL2365586 | 0.81 | HIF1A (0.52) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL2363733 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL2819013 | 0.80 | MEN1 (0.78) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL485227 | 0.80 | CYP3A4 (0.71) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL485459 | 0.79 | CYP3A4 (0.77) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL485435 | 0.78 | HIF1A (0.67) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 | |
| SCHEMBL484947 | 0.78 | CYP3A4 (0.41) | CYP3A4CYP2C19HIF1AALDH1A1CYP2C9 |
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 |