Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.67 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.66 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.66 |
| ▸ | HTR3B | O95264 | 3/20 | 0.66 |
| ▸ | HTR3A | P46098 | 3/20 | 0.66 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.66 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.66 |
| ▸ | DRD2 | P14416 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | DRD3 | P35462 | 1/20 | 0.58 |
| ▸ | HTR6 | P50406 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 4/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7083627 | 0.85 | ADRB1 (0.70) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL2881283 | 0.82 | ADRB1 (0.89) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL2156502 | 0.80 | LTA4H (1.00) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL2410870 | 0.80 | ADRB1 (1.00) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL234280 | 0.80 | ADRB1 (1.00) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL2881150 | 0.79 | LTA4H (0.96) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL547174 | 0.79 | HTR1A (0.77) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL2302729 | 0.79 | ADRB1 (0.96) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| Piperazine SCHEMBL8590918 | 0.79 | ADRB1 (0.96) | LTA4HADRB1HTR3EHTR3BHTR3A | |
| Bromide SCHEMBL11070661 | 0.79 | ADRB1 (0.96) | LTA4HADRB1HTR3EHTR3BHTR3A |
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-1246819-A1 | A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES | H. Lundbeck A/S (DK) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001049681-A1 | A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES | H. LUNDBECK A/S (DK) | 2001-07-12 | — | — | WO | disclosed |