Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDXK | O00764 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083207 | 0.79 | HTT (0.35) | HTTNPC1GAAMAPTRAB9A | |
| SCHEMBL7245034 | 0.78 | NOS3 (0.46) | PDXKCYP1A2 | |
| SCHEMBL1138039 | 0.78 | SMN1; SMN2 (0.39) | PDXKHTTNPC1GAAMAPT | |
| SCHEMBL30224739 | 0.75 | MAPT (0.32) | HTTMAPTHSD17B10ALDH1A1 | |
| SCHEMBL18688147 | 0.75 | RRM2 (0.37) | PDXKALDH1A1 | |
| SCHEMBL17688337 | 0.75 | PLAU (0.42) | PDXK | |
| SCHEMBL19823644 | 0.75 | AGBL2 (0.41) | PDXK | |
| SCHEMBL15991301 | 0.75 | PDXK (0.43) | PDXKMAPTALDH1A1MEN1KMT2A | |
| SCHEMBL17688294 | 0.75 | IDO1 (0.35) | SMN1; SMN2HSD17B10HPGDALDH1A1CYP3A4 | |
| SCHEMBL24011728 | 0.75 | ESR2 (0.47) | NPC1MAPTRAB9ASMN1; SMN2KMT2A |
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 |