Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9333212 | 0.80 | BCHE (0.44) | BCHEPOLBALDH1A1LMNAALOX12 | |
| SCHEMBL18629143 | 0.79 | KDM4E (0.57) | KDM4ESMN1; SMN2MAPK1CYP3A4ALDH1A1 | |
| SCHEMBL9344119 | 0.77 | MAPK1 (0.40) | SMN1; SMN2MAPK1POLBALDH1A1LMNA | |
| SCHEMBL12890052 | 0.77 | KDM4E (0.58) | KDM4ESMN1; SMN2MAPK1POLBCYP3A4 | |
| SCHEMBL9344103 | 0.76 | ALDH1A1 (0.42) | ALDH1A1EPHX2TSHR | |
| SCHEMBL12890055 | 0.76 | KDM4E (0.61) | KDM4ESMN1; SMN2MAPK1POLBCYP3A4 | |
| SCHEMBL12733406 | 0.76 | KDM4E (0.61) | KDM4ESMN1; SMN2MAPK1POLBCYP3A4 | |
| SCHEMBL12733407 | 0.76 | KDM4E (0.61) | KDM4ESMN1; SMN2MAPK1POLBCYP3A4 | |
| SCHEMBL12733408 | 0.76 | KDM4E (0.61) | KDM4ESMN1; SMN2MAPK1POLBCYP3A4 | |
| SCHEMBL9344169 | 0.75 | TSHR (0.39) | MAPK1POLBCYP3A4CYP2D6ALDH1A1 |
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 |