Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | USP28 | Q96RU2 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | CCR4 | P51679 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL484754 | 0.95 | SOS1 (0.39) | SOS1SLC6A2SLC6A4SLC6A3USP28 | |
| Trifluoroacetic Acid SCHEMBL484753 | 0.70 | MMP2 (0.44) | SOS1SLC6A2SLC6A4SLC6A3PIM1 | |
| SCHEMBL484729 | 0.67 | SLC6A2 (0.45) | SOS1SLC6A2SLC6A4SLC6A3PIM1 | |
| SCHEMBL13131256 | 0.66 | SLC6A2 (0.44) | SOS1SLC6A2SLC6A4SLC6A3PIM1 | |
| SCHEMBL13131249 | 0.65 | CYP11B1 (0.51) | SLC6A2SLC6A4SLC6A3PIM1CYP11B1 | |
| Hydrochloric Acid SCHEMBL2816087 | 0.65 | SLC6A2 (0.44) | SOS1SLC6A2SLC6A4SLC6A3PIM1 | |
| SCHEMBL485117 | 0.64 | CYP2D6 (0.51) | SOS1SLC6A2SLC6A4SLC6A3MCHR1 | |
| SCHEMBL6859491 | 0.63 | CNR2 (0.52) | CYP3A4TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL2816008 | 0.63 | HRH4 (0.49) | PIM1MCHR1CYP11B1ALDH1A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL8511708 | 0.62 | HDAC1 (0.39) | SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4 |
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 |