Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 3/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9878842 | 0.80 | DHFR (0.54) | DHFRGRM4 | |
| SCHEMBL13892408 | 0.73 | DHFR (0.61) | SCN9ADHFRHRH4 | |
| SCHEMBL8550513 | 0.71 | CYP2A6 (0.52) | ABCG2ALDH1A1CYP2A6KDM4ETSHR | |
| SCHEMBL30468721 | 0.70 | ABCG2 (0.48) | ABCG2ALDH1A1CYP2A6KDM4ETSHR | |
| SCHEMBL1577047 | 0.69 | MEN1 (0.57) | POLBHRH3TSHRGRM4 | |
| SCHEMBL30329794 | 0.69 | MEN1 (0.57) | POLBHRH3TSHRGRM4 | |
| SCHEMBL7356335 | 0.69 | CYP1A2 (0.66) | SCN9AABCG2 | |
| SCHEMBL7363505 | 0.69 | SMN1; SMN2 (0.62) | SCN9APOLBALDH1A1KDM4ETSHR | |
| SCHEMBL4303340 | 0.69 | POLB (0.44) | POLBDHFRALDH1A1KDM4ETSHR | |
| SCHEMBL20800876 | 0.68 | ALDH1A1 (0.70) | ABCG2ALDH1A1CYP2A6KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000027826-A1 | NOVEL PYRIMIDINES, THE PRODUCTION THEREOF AND THEIR USE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-05-18 | — | — | WO | disclosed |