Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 15/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | HSD11B2 | P80365 | 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 | |
|---|---|---|---|---|
| SCHEMBL8799889 | 0.83 | TSHR (0.36) | TSHRHSD11B1EPHX2GLAESR1 | |
| SCHEMBL2749102 | 0.79 | TSHR (0.59) | TSHREPHX2GLAESR1 | |
| SCHEMBL8096733 | 0.76 | LMNA (0.42) | HSD11B1EPHX2 | |
| Acrylic Acid Methyl Ester SCHEMBL27973004 | 0.73 | GLA (0.40) | TSHRHSD11B1EPHX2GLAHSD11B2 | |
| SCHEMBL2090342 | 0.71 | TSHR (0.37) | TSHRESR1 | |
| SCHEMBL28211284 | 0.69 | GLA (0.46) | TSHRHSD11B1EPHX2GLA | |
| SCHEMBL12765792 | 0.68 | EPHX2 (0.39) | TSHRHSD11B1EPHX2 | |
| SCHEMBL8585056 | 0.67 | — | — | |
| Idramantone SCHEMBL3506706 | 0.67 | EPHX2 (0.52) | TSHRHSD11B1EPHX2 | |
| SCHEMBL482352 | 0.67 | HSD11B1 (0.33) | HSD11B1EPHX2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0661271-B1 | AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS | ASAHI CHEMICAL IND (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-5658923-A | USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1997-08-19 | — | — | US | disclosed |
| US-5650406-A | ANTISCHIZOPHRENIC AGENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1997-07-22 | — | — | US | disclosed |
| EP-0757040-A1 | ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1997-02-05 | — | — | EP | disclosed |
| EP-0661271-A1 | AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-07-05 | — | — | EP | disclosed |