Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL23472184 | 0.90 | PTGS2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL20219500 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL20219619 | 0.83 | TLR7 (0.55) | TLR8TLR7 | |
| SCHEMBL23472202 | 0.81 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472238 | 0.80 | TLR7 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL23472685 | 0.78 | TLR8 (0.49) | TSHRALDH1A1MAPK1HPGDSMN1; SMN2 | |
| SCHEMBL4817193 | 0.75 | CHRM2 (0.63) | MTNR1AMTNR1BCHRM2CHRM1CHRM3 | |
| SCHEMBL23472382 | 0.74 | TLR8 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL3477833 | 0.73 | PPARG (0.61) | MTNR1AMTNR1BCHRM2CHRM1CHRM3 | |
| SCHEMBL3297777 | 0.73 | PPARG (0.61) | MTNR1AMTNR1BCHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3590928-B1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) | 2021-06-09 | — | — | EP | disclosed |