Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23092069 | 0.83 | SLC6A4 (0.70) | SLC6A4CYP1A2CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL14648925 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP2D6CYP2C19TDP1MAPT | |
| SCHEMBL3863807 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL8305051 | 0.75 | ADRB2 (0.52) | NR1H2NR1H3ROCK1 | |
| SCHEMBL8284225 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL8286101 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL238408 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL8285910 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL3865060 | 0.75 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL6193234 | 0.73 | SLC6A4 (0.57) | SLC6A4CYP1A2CYP2D6CYP2C19SLC2A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0555388-B1 | INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES | DU PONT (US) | 1999-01-27 | — | — | EP | disclosed |
| US-5378708-A | Agricultural pesticides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-01-03 | — | — | US | disclosed |
| EP-0555388-A1 | INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992008704-A1 | INSECTICIDAL, ACARICIDAL AND FUNGICIDAL AMINOPYRIMIDINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-05-29 | — | — | WO | disclosed |