Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL332874 | 0.82 | EPHX2 (0.43) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL3674042 | 0.81 | ALDH1A1 (0.43) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL18135491 | 0.78 | MEN1 (0.43) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL4136810 | 0.76 | ALDH1A1 (0.40) | ALDH1A1NPC1EPHX2MEN1KMT2A | |
| SCHEMBL9619395 | 0.76 | ALDH1A1 (0.38) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL354415 | 0.76 | SLC22A2 (0.43) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL14695859 | 0.74 | SLC22A2 (0.50) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| Rimantadine SCHEMBL9091299 | 0.73 | SLC22A2 (0.67) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL1089252 | 0.72 | ALDH1A1 (0.50) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 | |
| SCHEMBL15149727 | 0.72 | ALDH1A1 (0.50) | ALDH1A1NPC1EPHX2SLC22A2SLC47A1 |
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 |