Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.52 |
| ▸ | AXL | P30530 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6181603 | 0.81 | DHODH (0.47) | CASP1ALDH1A1GAAPPARGMAPT | |
| SCHEMBL16635187 | 0.77 | MAPT (0.42) | CASP1ALDH1A1KDM4EGAAKMT2A | |
| SCHEMBL17987105 | 0.77 | CNR1 (0.35) | AXLALDH1A1KDM4EGAAMEN1 | |
| SCHEMBL25148607 | 0.75 | LDHA (0.54) | AXLALDH1A1KDM4EGAANR4A2 | |
| SCHEMBL11379519 | 0.75 | AXL (0.60) | CYP46A1AXLCASP1ALDH1A1KDM4E | |
| SCHEMBL30364708 | 0.75 | LDHA (0.54) | AXLALDH1A1KDM4EGAANR4A2 | |
| SCHEMBL30217866 | 0.75 | KDM4E (0.47) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL31598658 | 0.75 | ALDH1A1 (0.64) | CYP46A1CASP1ALDH1A1KDM4EGLA | |
| SCHEMBL236107 | 0.75 | KDM4E (0.47) | ALDH1A1KDM4EGLAGAAMEN1 | |
| SCHEMBL949750 | 0.75 | ALDH1A1 (0.64) | CYP46A1CASP1ALDH1A1KDM4EGLA |
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-1501805-A1 | SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003095430-A1 | SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2003-11-20 | — | — | WO | disclosed |