Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3674670 | 1.00 | TSHR (0.47) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL10876333 | 0.79 | TSHR (0.56) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL10876331 | 0.79 | TSHR (0.56) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL2123106 | 0.78 | CYP1A2 (0.52) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL9452246 | 0.77 | TSHR (0.57) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL9452244 | 0.77 | TSHR (0.57) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL9172285 | 0.75 | TSHR (0.59) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL10787397 | 0.75 | TSHR (0.48) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL27480535 | 0.75 | TSHR (0.54) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL6158117 | 0.74 | TSHR (0.57) | TSHRCYP1A2CYP2C19CYP2D6CYP2C9 |
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-2266947-A1 | Ester derivatives as competitive inhibitors of type II dehydroquinase enzyme | Universidad De Santiago De Compostela (ES) | 2010-12-29 | — | — | EP | disclosed |
| WO-2010146125-A1 | ESTER DERIVATIVES AS COMPETITIVE INHIBITORS OF TYPE II DEHYDROQUINASE ENZYME | UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) | 2010-12-23 | — | — | WO | disclosed |