Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.39 |
| ▸ | RORC | P51449 | 3/20 | 0.38 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7117168 | 0.82 | NR1I2 (0.40) | HSD11B1NR1H3NR1H2RORCPER2 | |
| SCHEMBL7123604 | 0.75 | KEAP1 (0.46) | TSHRHTTL3MBTL1NR1I2 | |
| SCHEMBL7119808 | 0.74 | KIF11 (0.42) | NR1H3NR1H2TSHRHTTL3MBTL1 | |
| SCHEMBL5693804 | 0.73 | HSD11B1 (0.35) | MCL1HSD11B1NR1H3NR1H2RORC | |
| SCHEMBL8818175 | 0.69 | CA2 (0.40) | NR1H3NR1H2 | |
| SCHEMBL22821888 | 0.68 | MAPT (0.40) | MCL1L3MBTL1 | |
| SCHEMBL15780640 | 0.67 | MCL1 (0.46) | MCL1HSD11B1NR1H3NR1H2RORC | |
| SCHEMBL15771226 | 0.67 | RORC (0.74) | MCL1NR1H2RORC | |
| SCHEMBL2204702 | 0.66 | MLYCD (0.31) | — | |
| SCHEMBL7122553 | 0.65 | RORC (0.43) | RORCTSHRHTT |
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 |