Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 12/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 12/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3729754 | 0.96 | CYP2C9 (0.51) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL3084062 | 0.90 | CYP2C9 (0.52) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL3088782 | 0.80 | CYP1A2 (0.34) | CYP2D6CYP1A2 | |
| SCHEMBL2336591 | 0.80 | CYP2C9 (0.46) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL641121 | 0.78 | CYP2C9 (0.75) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL26101920 | 0.77 | USP2 (0.39) | CYP2C9TSHRCYP2D6CYP3A4CYP2C19 | |
| SCHEMBL484957 | 0.73 | CYP3A4 (0.68) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| Hydrochloric Acid SCHEMBL2306453 | 0.73 | HIF1A (0.63) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL2365553 | 0.72 | CYP3A4 (0.44) | CYP2C9TSHRCYP2D6CYP3A4HIF1A | |
| SCHEMBL484669 | 0.71 | CYP2D6 (0.69) | CYP2C9TSHRCYP2D6CYP3A4HIF1A |
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-2393812-A1 | SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS | Grünenthal GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089127-A1 | SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS | Grünenthal GmbH (DE) | 2010-08-12 | — | — | WO | disclosed |