Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 6/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9888504 | 0.82 | NR1H3 (0.49) | KIF11CA2CA9NR1H3NR1H2 | |
| SCHEMBL7128846 | 0.80 | CA1 (0.42) | CA2CA1CA5ACA9NR1H3 | |
| SCHEMBL8818175 | 0.78 | CA2 (0.40) | CA2CA1CA5ACA9NR1H3 | |
| SCHEMBL7117168 | 0.78 | NR1I2 (0.40) | CA2CA1CA5ACA9NR1H3 | |
| SCHEMBL1662507 | 0.77 | L3MBTL1 (0.41) | CA2MAPTMCOLN3SIRT2L3MBTL1 | |
| SCHEMBL31349768 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL7118481 | 0.74 | MCL1 (0.44) | NR1H3NR1H2L3MBTL1TSHRHTT | |
| SCHEMBL7123604 | 0.71 | KEAP1 (0.46) | L3MBTL1TSHRHTT | |
| SCHEMBL15374351 | 0.71 | FFAR1 (0.61) | CA9MAPTMCOLN3SIRT2NPSR1 | |
| SCHEMBL30999665 | 0.70 | CYP2A6 (0.38) | CA2CA1CA5ACA9MAPT |
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 |