Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | BMP1 | P13497 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4794418 | 0.86 | RAPGEF4 (0.37) | RAPGEF4FFAR4BDKRB1CYP3A4HPGD | |
| SCHEMBL4780362 | 0.79 | BDKRB1 (0.40) | BDKRB1BMP1 | |
| SCHEMBL7207685 | 0.74 | MMP13 (0.51) | — | |
| SCHEMBL2201234 | 0.74 | RAPGEF4 (0.46) | RAPGEF4FFAR4CYP3A4HPGDALDH1A1 | |
| SCHEMBL3991616 | 0.73 | BDKRB1 (0.43) | BDKRB1 | |
| Hydrochloric Acid SCHEMBL2202510 | 0.72 | RAPGEF4 (0.44) | RAPGEF4FFAR4CYP3A4HPGDALDH1A1 | |
| SCHEMBL10498033 | 0.72 | RAPGEF4 (0.44) | RAPGEF4FFAR4CYP3A4HPGDALDH1A1 | |
| SCHEMBL4795195 | 0.71 | RAPGEF4 (0.38) | RAPGEF4FFAR4BDKRB1CYP3A4HPGD | |
| SCHEMBL2935913 | 0.70 | ALDH1A1 (0.50) | FFAR4HPGDALDH1A1 | |
| SCHEMBL571182 | 0.69 | BDKRB1 (0.53) | BDKRB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008002849-A2 | ARYL SULFONES | NEUROGEN CORPORATION (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2008002849-A2 | ARYL SULFONES | NEUROGEN CORPORATION (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2007140383-A2 | SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS | NEUROGEN CORPORATION (US) | 2007-12-06 | — | — | WO | disclosed |