Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 9/20 | 0.50 |
| ▸ | PPARD | Q03181 | 6/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12093638 | 0.85 | ALDH1A1 (0.56) | ALDH1A1PPARDPTPN1GAANPSR1 | |
| SCHEMBL13239750 | 0.84 | LMNA (0.58) | ALDH1A1PTPN1GAANPSR1KDM4E | |
| SCHEMBL29536561 | 0.84 | LMNA (0.58) | ALDH1A1PTPN1GAANPSR1KDM4E | |
| SCHEMBL9272260 | 0.84 | ALDH1A1 (0.50) | ALDH1A1FFAR1PPARDGAANPSR1 | |
| SCHEMBL4773036 | 0.83 | ALDH1A1 (0.58) | ALDH1A1PTPN1GAANPSR1TDP1 | |
| SCHEMBL4776200 | 0.82 | ESR1 (0.49) | ALDH1A1GAANPSR1KDM4EHSD17B10 | |
| SCHEMBL6990963 | 0.82 | ALDH1A1 (0.55) | ALDH1A1PTPN1GAANPSR1TDP1 | |
| SCHEMBL4051742 | 0.82 | ALDH1A1 (0.52) | ALDH1A1PTPN1GAANPSR1TDP1 | |
| SCHEMBL22139067 | 0.81 | TNKS2 (0.51) | ALDH1A1FFAR1PPARDGAANPSR1 | |
| SCHEMBL4861358 | 0.81 | MAPK1 (0.55) | ALDH1A1GAANPSR1KDM4EHSD17B10 |
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-1937647-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | Inpharmatica Limited (GB) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |