Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.64 |
| ▸ | ESR1 | P03372 | 7/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | GLB1 | P16278 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.46 |
| ▸ | CTRC | Q99895 | 1/20 | 0.46 |
| ▸ | AGER | Q15109 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14260454 | 0.90 | ESR1 (0.80) | ESR2ESR1ALOX15GLB1CTRB1 | |
| SCHEMBL7530533 | 0.88 | ESR2 (0.80) | ESR2ESR1ALOX15ALDH1A1KDM4E | |
| SCHEMBL3811364 | 0.88 | ESR2 (0.80) | ESR2ESR1ALOX15ALDH1A1KDM4E | |
| SCHEMBL1977810 | 0.86 | ESR1 (0.53) | ESR2ESR1ALOX15GLB1CTRB1 | |
| SCHEMBL31540169 | 0.86 | ESR2 (0.53) | ESR2ESR1ALOX15GLB1CTRB1 | |
| SCHEMBL9838333 | 0.81 | ESR2 (0.95) | ESR2ESR1ALOX15ALDH1A1KDM4E | |
| SCHEMBL19428169 | 0.81 | ESR2 (0.70) | ESR2ESR1ALOX15ALDH1A1KDM4E | |
| SCHEMBL23198889 | 0.79 | OPRM1 (0.52) | ESR2ESR1ALDH1A1MEN1KMT2A | |
| SCHEMBL14804313 | 0.79 | OPRM1 (0.52) | ESR2ESR1ALDH1A1MEN1KMT2A | |
| SCHEMBL14804316 | 0.79 | OPRM1 (0.52) | ESR2ESR1ALDH1A1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |
| CN-1158844-A | Tertiary amines | HOFFMANN LA ROCHE (CH) | 1997-09-10 | — | — | CN | disclosed |
| EP-0778264-A1 | Tertiary amines having antimycotic and cholesterol lowering activity | F. HOFFMANN-LA ROCHE AG (CH) | 1997-06-11 | — | — | EP | disclosed |