Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.54 |
| ▸ | ABAT | P80404 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22440024 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPK1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL20500959 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPTGAACA1 | |
| SCHEMBL2998296 | 0.81 | VCAM1 (0.54) | ALDH1A1MAPK1TSHRSMN1; SMN2L3MBTL1 | |
| SCHEMBL22440060 | 0.81 | VCAM1 (0.54) | ALDH1A1MAPK1TSHRSMN1; SMN2L3MBTL1 | |
| SCHEMBL4338371 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPK1TSHRSMN1; SMN2HSD17B10 | |
| SCHEMBL12614866 | 0.77 | MAPT (0.46) | ALDH1A1HPGDTSHRSMN1; SMN2L3MBTL1 | |
| SCHEMBL20500983 | 0.77 | TUBB4A (0.48) | ALDH1A1TSHRSMN1; SMN2ALOX15HSD17B10 | |
| SCHEMBL4346881 | 0.77 | TUBB4A (0.48) | ALDH1A1TSHRSMN1; SMN2ALOX15HSD17B10 | |
| SCHEMBL15688141 | 0.77 | SHBG (0.44) | ALDH1A1MAPK1HPGDTSHRALOX15 | |
| SCHEMBL1026668 | 0.76 | ALDH1A1 (0.56) | ALDH5A1ABATALDH1A1MAPK1GPR35 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1748993-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005116000-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2005-12-08 | — | — | WO | disclosed |
| EP-1401427-A4 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMA (US) | 2004-12-01 | — | — | EP | disclosed |
| EP-1401427-A2 | NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | Agouron Pharmaceuticals, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002098363-A2 | NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |