Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7119808 | 0.80 | KIF11 (0.42) | CA1CA2CA5ACA9NR1H3 | |
| SCHEMBL7122553 | 0.80 | RORC (0.43) | CA1CA2CA5ACA9TSHR | |
| SCHEMBL2634503 | 0.79 | ALDH1A1 (0.50) | HTTL3MBTL1ALDH1A1MAPK1 | |
| SCHEMBL9888504 | 0.78 | NR1H3 (0.49) | CA2CA9NR1H3HTTALDH1A1 | |
| SCHEMBL14855515 | 0.73 | CA1 (0.37) | CA1CA2CA5ACA9L3MBTL1 | |
| SCHEMBL14855516 | 0.73 | L3MBTL1 (0.47) | CA1CA2CA5ACA9HTT | |
| SCHEMBL31349768 | 0.72 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL27720036 | 0.70 | ALDH1A1 (0.44) | TSHRL3MBTL1MTNR1AMTNR1BALDH1A1 | |
| SCHEMBL7983296 | 0.70 | RIPK1 (0.41) | CA1CA2CA5ACA9HSD17B1 | |
| SCHEMBL21594681 | 0.69 | ALDH1A1 (0.48) | MTNR1AMTNR1BALDH1A1MAPK1TAAR1 |
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-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |