Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL4677222 | 0.79 | CES2 (0.37) | CES2CES1MC4RL3MBTL1HPGD | |
| SCHEMBL22854539 | 0.79 | L3MBTL1 (0.51) | L3MBTL1HPGDSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL6204097 | 0.77 | CES2 (0.44) | CES2CES1MC4RALDH1A1GAA | |
| SCHEMBL18779646 | 0.73 | KMT2A (0.34) | SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12186095 | 0.72 | LMNA (0.46) | CES2CES1MC4RKDM4EALDH1A1 | |
| SCHEMBL23999291 | 0.72 | TRPA1 (0.33) | — | |
| SCHEMBL5417507 | 0.72 | KMT2A (0.32) | CES2CES1MC4RL3MBTL1 | |
| SCHEMBL20428651 | 0.71 | ADRA2A (0.53) | HPGDTSHRALOX15MAPK1NPSR1 | |
| SCHEMBL19289270 | 0.69 | ALDH1A1 (0.44) | HPGDNPSR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11038267 | 0.69 | CES2 (0.42) | CES2CES1NLRP3HPGDTSHR |
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-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |