Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 5/20 | 0.71 |
| ▸ | DRD2 | P14416 | 4/20 | 0.71 |
| ▸ | MAPT | P10636 | 2/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.62 |
| ▸ | HTR7 | P34969 | 3/20 | 0.58 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7990044 | 0.91 | KCNH2 (0.72) | HTR1ADRD2MAPTNPSR1HRH3 | |
| SCHEMBL6858091 | 0.85 | ALDH1A1 (0.76) | DRD2MAPTKCNH2HTR7KDM4E | |
| SCHEMBL6509439 | 0.84 | DRD2 (1.00) | HTR1ADRD2MAPTNPSR1KCNH2 | |
| SCHEMBL1298709 | 0.84 | KDM4E (0.71) | HRH3SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL15961301 | 0.83 | KCNH2 (0.77) | HTR1ADRD2MAPTNPSR1KCNH2 | |
| SCHEMBL12880000 | 0.83 | HRH3 (0.78) | MAPTNPSR1HRH3SIGMAR1KDM4E | |
| SCHEMBL10861239 | 0.82 | HTR1A (0.72) | HTR1ADRD2MAPTNPSR1SIGMAR1 | |
| SCHEMBL7989072 | 0.82 | SIGMAR1 (0.84) | HTR1ADRD2MAPTNPSR1KCNH2 | |
| Hydrochloric Acid SCHEMBL1299170 | 0.82 | KDM4E (0.70) | HRH3SIGMAR1KDM4EALDH1A1 | |
| SCHEMBL14426311 | 0.81 | HRH3 (1.00) | DRD2HRH3SIGMAR1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6313297-B1 | CATALYTIC ALKYLATION; BY-PRODUCT INHIBITION | AVENTIS RESEARCH & TECHNOLOGIES (DE) | 2001-11-06 | — | — | US | disclosed |