Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP9 | P55211 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29369910 | 0.86 | TDP1 (0.74) | ALDH1A1L3MBTL1TDP1KDM4ETSHR | |
| SCHEMBL1694924 | 0.86 | TDP1 (0.74) | ALDH1A1L3MBTL1TDP1KDM4ETSHR | |
| SCHEMBL2007090 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ADRB3KDM4EMEN1HPGD | |
| SCHEMBL1549799 | 0.84 | ESR1 (0.61) | ALDH1A1KDM4EMEN1HPGDCASP1 | |
| SCHEMBL1815302 | 0.84 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TDP1ADRB3KDM4E | |
| SCHEMBL4303747 | 0.84 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1TDP1KDM4EMEN1 | |
| SCHEMBL3531540 | 0.84 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1TDP1ADRB3KDM4E | |
| SCHEMBL2031260 | 0.83 | ALDH1A1 (0.50) | ALDH1A1ADRB3KDM4EMEN1HPGD | |
| SCHEMBL4773036 | 0.82 | ALDH1A1 (0.58) | ALDH1A1L3MBTL1TDP1ADRB3KDM4E | |
| SCHEMBL2007531 | 0.82 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1TDP1ADRB3KDM4E |
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 |