Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5669941 | 0.98 | SLC6A4 (0.50) | SLC6A4HTR6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1129244 | 0.83 | SLC6A4 (0.50) | SLC6A4HTR6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17608977 | 0.82 | MAOB (0.44) | SLC6A4 | |
| SCHEMBL7572203 | 0.82 | MAPK1 (0.52) | TSHR | |
| SCHEMBL5180640 | 0.80 | MAPT (0.51) | SLC6A4HTR6CYP3A4 | |
| SCHEMBL811731 | 0.79 | SLC6A4 (0.53) | SLC6A4HTR6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10487337 | 0.77 | CYP1A2 (0.59) | SLC6A4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11275558 | 0.76 | CYP1A2 (0.39) | SLC6A4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL2537380 | 0.76 | SLC6A4 (0.49) | SLC6A4CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11210748 | 0.76 | LTA4H (0.41) | SLC6A4CYP3A4CYP2C9CYP2C19CYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5283371-A | Intermediates useful in the production of pesticides | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1994-02-01 | — | — | US | disclosed |
| EP-0238272-B1 | INTERMEDIATES USEFUL IN THE PRODUCTION OF PESTICIDES | BTG INTERNATIONAL LIMITED (GB) | 1992-05-13 | — | — | EP | disclosed |
| US-5068403-A | INTERMEDIATES USEFUL IN THE PRODUCTION OF PESTICIDES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-11-26 | — | — | US | disclosed |
| EP-0238272-A2 | Intermediates useful in the production of pesticides | BTG INTERNATIONAL LIMITED (GB) | 1987-09-23 | — | — | EP | disclosed |