Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 6/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL28212499 | 0.82 | EPHX1 (0.60) | EPHX1HPGDKMT2AGNAI3GNAO1 | |
| SCHEMBL9348981 | 0.82 | LMNA (0.43) | EPHX1HPGDKMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL9345071 | 0.79 | POLB (0.65) | EPHX1GNAI3GNAO1GNAI1POLB | |
| SCHEMBL15202847 | 0.76 | EPHX1 (0.72) | EPHX1HPGDKMT2AGNAI3GNAO1 | |
| SCHEMBL13484250 | 0.76 | EPHX1 (0.60) | EPHX1HPGDKMT2AGNAI3GNAO1 | |
| SCHEMBL9130345 | 0.75 | ALDH1A1 (0.40) | KMT2ABCHESMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL9329914 | 0.75 | EPHX1 (0.49) | EPHX1HPGDPOLBBCHECHRM3 | |
| SCHEMBL6473627 | 0.75 | EPHX1 (0.76) | EPHX1HPGDKMT2AGNAI3GNAO1 | |
| SCHEMBL9125633 | 0.74 | ALDH1A1 (0.39) | HPGDBCHESMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL9127102 | 0.74 | ALDH1A1 (0.39) | KMT2ABCHESMN1; SMN2ALDH1A1L3MBTL1 |
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-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |