Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1983658 | 0.76 | TSHR (0.32) | TSHR | |
| SCHEMBL1096789 | 0.75 | HTR7 (0.41) | TSHRACHE | |
| SCHEMBL9901980 | 0.75 | BDKRB2 (0.35) | — | |
| SCHEMBL9014584 | 0.75 | DAO (0.38) | HTR2A | |
| SCHEMBL7012232 | 0.75 | TSHR (0.36) | TSHR | |
| SCHEMBL14634521 | 0.74 | ALDH1A1 (0.35) | TSHR | |
| SCHEMBL4773875 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL2864353 | 0.73 | ACHE (0.38) | ACHE | |
| SCHEMBL1452840 | 0.72 | HTT (0.38) | TSHRACHE | |
| SCHEMBL6772300 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5072023-A | Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate | E. R. SQUIBB & SONS, INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0442495-A1 | Process for preparing highly substituted phenyls | E.R. SQUIBB & SONS, INC. (US) | 1991-08-21 | — | — | EP | disclosed |