Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.36 |
| ▸ | PPARG | P37231 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3380544 | 0.86 | PPARA (0.44) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL7420613 | 0.86 | PPARA (0.44) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL4383883 | 0.82 | CYP2D6 (0.39) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| Hydrochloric Acid SCHEMBL10545348 | 0.77 | ALOX15 (0.40) | ADRA2ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL27465884 | 0.75 | HPGD (0.38) | CYP2D6TSHRCYP2C19CYP1A2PKM | |
| SCHEMBL27821524 | 0.74 | PPARG (0.59) | PPARAPPARGPPARD | |
| SCHEMBL30613915 | 0.74 | PPARG (0.59) | PPARAPPARGPPARD | |
| SCHEMBL16635226 | 0.74 | PPARG (0.59) | PPARAPPARGPPARD | |
| SCHEMBL31566188 | 0.74 | PPARG (0.40) | PPARAPPARGPPARD | |
| SCHEMBL444321 | 0.73 | CYP2D6 (0.36) | CYP2D6TSHRCYP2C19CYP1A2PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000076990-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-21 | — | — | WO | disclosed |
| EP-0824531-B1 | METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN | PF MEDICAMENT (FR) | 2000-03-22 | — | — | EP | disclosed |
| US-5880296-A | RACEMIC MIXTURE IS RESOLVED BY SELECTIVE CRYSTALLIZATION WITH THE APPROPRIATE OPTICALLY PURE ENANTIOMER OF 2-PHENYLGLYCINOL; ANTIDEPRESSANT, MIGRAINE DRUG SYNTHESIS | PIERRE FABRE MEDICAMENT (FR) | 1999-03-09 | — | — | US | disclosed |
| EP-0824531-A1 | METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN | PIERRE FABRE MEDICAMENT (FR) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035682-A1 | METHOD FOR PREPARING AN OPTICALLY PURE BENZOFURAN CARBOXYLIC ACID AND USE THEREOF FOR PREPARING EFAROXAN | PIERRE FABRE MEDICAMENT (FR) | 1996-11-14 | — | — | WO | disclosed |