Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971911 | 0.95 | SOAT2 (0.40) | LMNATSHRCES2CES1ALDH1A1 | |
| SCHEMBL6962138 | 0.90 | KCNH2 (0.38) | LMNAPAX8KCNH2ALDH1A1MAPT | |
| SCHEMBL6967901 | 0.83 | FFAR1 (0.37) | LMNAKCNH2ALDH1A1MAPT | |
| SCHEMBL6962294 | 0.74 | FFAR1 (0.41) | LMNATSHRL3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL6969266 | 0.72 | TSHR (0.36) | LMNATSHRCES2CES1ALDH1A1 | |
| SCHEMBL5002852 | 0.71 | LMNA (0.50) | LMNATSHRCES2CES1TDP1 | |
| SCHEMBL285027 | 0.71 | NPC1 (0.39) | LMNATSHRTDP1ALDH1A1NPSR1 | |
| SCHEMBL15282308 | 0.71 | ALDH1A1 (0.50) | TSHRKCNH2L3MBTL1ALDH1A1MAPT | |
| SCHEMBL10504820 | 0.71 | CES2 (0.52) | PTGS2LMNAPAX8CES2CES1 | |
| SCHEMBL21693932 | 0.70 | CES2 (0.49) | LMNATSHRCES2CES1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |