Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.44 |
| ▸ | ITGAL | P20701 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TYMP | P19971 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9780541 | 1.00 | PPARA (0.50) | PPARAITGB2ICAM1ITGALTSHR | |
| SCHEMBL9159642 | 0.81 | ITGB2 (0.45) | PPARAITGB2ICAM1ITGALTSHR | |
| SCHEMBL9849304 | 0.79 | RXFP1 (0.49) | PPARATYMPSMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL10652731 | 0.79 | ALDH1A1 (0.55) | PPARATSHRALDH1A1 | |
| SCHEMBL10651794 | 0.75 | PDE7A (0.51) | PPARATSHRSMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL14644121 | 0.74 | GAA (0.58) | TSHRSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL11295930 | 0.74 | ALDH1A1 (0.40) | ITGB2ICAM1ITGALSMN1; SMN2ALDH1A1 | |
| SCHEMBL7398296 | 0.74 | CYP2C9 (0.66) | PPARATSHRTYMPSMN1; SMN2ALDH1A1 | |
| SCHEMBL11518885 | 0.74 | PTGES (0.51) | PPARA | |
| SCHEMBL13816918 | 0.74 | ITGB2 (0.46) | ITGB2ICAM1ITGALTSHRALDH1A1 |
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-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0257378-A1 | Pyrimidine derivatives, their preparation and medicaments containing these derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-02 | — | — | EP | disclosed |