Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6617929 | 0.96 | AAK1 (0.38) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6622965 | 0.96 | AAK1 (0.38) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6613489 | 0.95 | MAPK14 (0.39) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6602796 | 0.93 | AAK1 (0.40) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6617639 | 0.91 | RAB9A (0.41) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6614856 | 0.89 | AAK1 (0.39) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6604937 | 0.89 | AAK1 (0.39) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6620400 | 0.88 | AAK1 (0.41) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6606850 | 0.87 | GAA (0.39) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6616791 | 0.87 | MAPK14 (0.40) | AAK1RAB9ASMN1; SMN2NPC1ALDH1A1 |
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-1458379-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | Pharmacia Italia S.p.A. (IT) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051358-A1 | HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM | PHARMACIA ITALIA SPA (IT) | 2003-06-26 | — | — | WO | claimed |