Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | CCR1 | P32246 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 1/20 | 0.56 |
| ▸ | CCR8 | P51685 | 1/20 | 0.56 |
| ▸ | DHODH | Q02127 | 4/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL15574132 | 0.89 | DHODH (0.55) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL29463697 | 0.89 | DHODH (0.55) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL29752476 | 0.87 | DHODH (0.54) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL30136159 | 0.87 | DHODH (0.54) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL13985937 | 0.86 | CCR1 (0.58) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL9326806 | 0.83 | CYP11B1 (0.46) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL38652373 | 0.83 | DHODH (0.51) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL9327097 | 0.83 | NPC1 (0.50) | HDAC6CCR1CCR5CCR8DHODH | |
| SCHEMBL18848889 | 0.83 | NPC1 (0.47) | DHODHPTGS2HDAC1CYP11B1CYP11B2 | |
| SCHEMBL9325737 | 0.83 | NPC1 (0.52) | DHODHHDAC1CYP11B1CYP11B2NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0361157-B1 | Phenyl pyridines | HOFFMANN LA ROCHE (CH) | 1994-03-02 | — | — | EP | disclosed |
| US-5284956-A | Liquid crystalline mixtures containing 2-(2-fluorophenyl) pyridines | HOFFMANN-LA ROCHE INC. (US) | 1994-02-08 | — | — | US | disclosed |
| EP-0361157-A1 | Phenyl pyridines | F. HOFFMANN-LA ROCHE AG (CH) | 1990-04-04 | — | — | EP | disclosed |