Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | WNT1 | P04628 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL5321309 | 0.87 | MAPK14 (0.61) | MAPK14KDM4ETP53TSHRNR1H4 | |
| Hydrochloric Acid SCHEMBL7466695 | 0.86 | MAPK14 (0.60) | MAPK14KDM4ETP53TSHRNR1H4 | |
| SCHEMBL7478558 | 0.84 | KDM4E (0.52) | MAPK14KDM4ETP53TSHRNR1H4 | |
| SCHEMBL5323843 | 0.76 | MAPK14 (0.56) | MAPK14WNT1DYRK1AEPHX2 | |
| SCHEMBL6163027 | 0.75 | MAPK14 (0.77) | MAPK14KDM4ETP53TSHRABCB1 | |
| SCHEMBL7475939 | 0.74 | FKBP1A (0.53) | MAPK14KDM4EROCK2 | |
| SCHEMBL10480077 | 0.73 | KDM4E (0.65) | MAPK14KDM4ETP53TSHREPHX2 | |
| Hydrochloric Acid SCHEMBL7812345 | 0.72 | MAPK14 (0.62) | MAPK14KDM4ETP53TSHREPHX2 | |
| SCHEMBL4698008 | 0.72 | KDM4E (0.70) | MAPK14KDM4ETP53TSHREPHX2 | |
| SCHEMBL4376838 | 0.71 | KDM4E (0.68) | MAPK14KDM4ETP53TSHREPHX2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218346-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021591-A1 | PYRAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-29 | — | — | WO | disclosed |