Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9686867 | 0.79 | ESR1 (0.46) | PTGS1PTGS2PARP1LMNATSHR | |
| SCHEMBL9246326 | 0.79 | HPGD (0.47) | PARP1HDAC6LMNASMN1; SMN2POLB | |
| SCHEMBL9688906 | 0.75 | CES2 (0.53) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL16955185 | 0.75 | CES2 (0.52) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL16955751 | 0.75 | PTGS1 (0.54) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL14192031 | 0.73 | CES2 (0.50) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL633161 | 0.73 | CES2 (0.61) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL15164589 | 0.70 | GAA (0.49) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL20560139 | 0.70 | CES2 (0.56) | CES2CES1PTGS1PTGS2PARP1 | |
| SCHEMBL103051 | 0.70 | CES2 (0.68) | CES2CES1PARP1HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5136114-A | PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-04 | — | — | US | disclosed |