Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.31 |
| ▸ | F3 | P13726 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8765629 | 0.84 | HCAR2 (0.46) | PTGS1ADORA3NR1I2PGRPTGS2 | |
| SCHEMBL8961953 | 0.83 | HCAR2 (0.35) | PTGS1TSHRMAPTHCAR2ATM | |
| SCHEMBL8961867 | 0.81 | — | — | |
| SCHEMBL5586275 | 0.80 | TSHR (0.50) | PTGS1ADORA3NR1I2PGRPTGS2 | |
| SCHEMBL8961912 | 0.79 | F7 (0.44) | PTGS1ADORA3PGRCYP19A1PPARG | |
| SCHEMBL15121261 | 0.78 | ALDH1A1 (0.46) | PTGS1ADORA3NR1I2PGRPTGS2 | |
| SCHEMBL14775231 | 0.78 | ALDH1A1 (0.46) | PTGS1ADORA3NR1I2PGRPTGS2 | |
| SCHEMBL8961885 | 0.78 | FAAH (0.47) | PTGS1ADORA3PGRCYP19A1PPARG | |
| SCHEMBL8961891 | 0.77 | FAAH (0.50) | PTGS1ADORA3PGRCYP19A1PPARG | |
| SCHEMBL8961924 | 0.77 | FAAH (0.50) | PTGS1ADORA3PGRCYP19A1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0523543-B1 | Chiral piperazine derivatives | HOFFMANN LA ROCHE (CH) | 1996-02-07 | — | — | EP | disclosed |
| US-5356559-A | Optically active piperazinyl derivatives as liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0523543-A1 | Chiral piperazine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |