Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1995855 | 0.80 | PPARA (0.44) | ALDH1A1SMN1; SMN2KDM4EGLAGAA | |
| SCHEMBL1992939 | 0.80 | DRD2 (0.36) | ALDH1A1SMN1; SMN2RAB9AS1PR1S1PR3 | |
| SCHEMBL2000748 | 0.76 | GRM2 (0.48) | KMT2APPARGPPARAESR1ESR2 | |
| SCHEMBL1939323 | 0.76 | DRD2 (0.38) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL7039280 | 0.73 | PPARA (0.42) | SMN1; SMN2TSHRKDM4EGAAMPI | |
| SCHEMBL5208846 | 0.73 | PPARG (0.44) | ALDH1A1KDM4EHPGDPPARGPPARA | |
| SCHEMBL7039212 | 0.73 | PPARA (0.38) | PPARGPPARAESR1ESR2PPARD | |
| SCHEMBL1400579 | 0.73 | PPARD (0.39) | ALDH1A1KDM4EGLAGAAHPGD | |
| SCHEMBL5210820 | 0.72 | PPARA (0.43) | PPARGPPARAPPARD | |
| SCHEMBL7044510 | 0.72 | ALOX5 (0.39) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E |
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-1812404-B1 | INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS | THERAMEX (MC) | 2011-06-15 | — | — | EP | disclosed |
| EP-1812404-B1 | INDAZOLES, BENZISOXAZOLES AND BENZISOTHIAZOLES AND THEIR USE AS ESTROGENIC AGENTS | THERAMEX (MC) | 2011-06-15 | — | — | EP | disclosed |