Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | PRKCA | P17252 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL8089816 | 1.00 | TSHR (0.41) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL106091 | 1.00 | TSHR (0.41) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL873013 | 0.98 | TSHR (0.42) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL620969 | 0.93 | — | — | |
| SCHEMBL518574 | 0.88 | — | — | |
| SCHEMBL1187818 | 0.80 | TSHR (0.43) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL1035256 | 0.80 | TSHR (0.43) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23037273 | 0.78 | TSHR (0.42) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL25223710 | 0.78 | TSHR (0.46) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL3264014 | 0.78 | TSHR (0.39) | TSHRHCAR2KEAP1NFE2L2ALDH1A1 |
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 3 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 |
| EP-0661271-A1 | AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-07-05 | — | — | EP | disclosed |