Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 6/20 | 0.43 |
| ▸ | BIRC2 | Q13490 | 6/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.40 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL1901041 | 0.82 | ALDH1A1 (0.63) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL1901039 | 0.82 | ALDH1A1 (0.63) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL1904488 | 0.82 | ALDH1A1 (0.63) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL5567965 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL5567969 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL5569136 | 0.81 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL3973534 | 0.79 | HTR3E (0.68) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL2249569 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL13428921 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E | |
| SCHEMBL1847071 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNAXIAPBIRC2HTR3E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458689-A1 | ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES | H. LUNDBECK A/S (DK) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003053942-A1 | ARYLOXYPHENYL AND ARYLSULFANYLPHENYL DERIVATIVES | H. LUNDBECK A/S (DK) | 2003-07-03 | — | — | WO | disclosed |