Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.70 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | ITGAL | P20701 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL29145969 | 0.85 | ABCG2 (0.70) | ABCG2ITGB2ICAM1ITGALPKM | |
| SCHEMBL4424499 | 0.84 | — | — | |
| SCHEMBL29353984 | 0.84 | — | — | |
| SCHEMBL14417491 | 0.84 | ABCG2 (1.00) | ABCG2ITGB2ICAM1ITGALPKM | |
| SCHEMBL8711 | 0.84 | — | — | |
| Hexane SCHEMBL27795257 | 0.83 | ABCG2 (0.67) | ABCG2ITGB2ICAM1ITGALPKM | |
| Pentane SCHEMBL27816270 | 0.83 | ABCG2 (0.67) | ABCG2ITGB2ICAM1ITGALPKM | |
| Methylamine SCHEMBL27556503 | 0.81 | ABCG2 (0.82) | ABCG2ITGB2ICAM1ITGALPKM | |
| Propylamine SCHEMBL29259562 | 0.81 | ABCG2 (0.64) | ABCG2ITGB2ICAM1ITGALPKM | |
| Methane SCHEMBL23532210 | 0.81 | ABCG2 (0.93) | ABCG2ITGB2ICAM1ITGALPKM |
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 |