Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | PLK1 | P53350 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.45 |
| ▸ | LIPC | P11150 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 5/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7107044 | 0.91 | PLK1 (0.52) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL24908522 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL9995051 | 0.86 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL27714380 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL16951173 | 0.82 | CES2 (0.40) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL26679370 | 0.81 | RXRA (0.50) | ALDH1A1HPGDKDM4EHSD17B10PLK1 | |
| SCHEMBL8477461 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL8477458 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4EHSD17B10USP2 | |
| SCHEMBL11068250 | 0.79 | RXRA (0.51) | PPARGPPARAPPARD | |
| SCHEMBL10848612 | 0.79 | MEN1 (0.62) | PPARGPPARAMRGPRX4PPARDMEN1 |
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-1343751-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002060859-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |