Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | CFD | P00746 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | GGT1 | P19440 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL30274376 | 0.90 | ACHE (0.50) | ACHECFDHTTSMN1; SMN2KDM4E | |
| SCHEMBL1737797 | 0.85 | CFD (0.53) | ACHECFDHTTSMN1; SMN2KDM4E | |
| SCHEMBL3453790 | 0.84 | TSHR (0.58) | CFDKDM4EALDH1A1TSHRPTGS1 | |
| SCHEMBL10119527 | 0.83 | CFD (0.51) | ACHECFDHTTKDM4EALDH1A1 | |
| SCHEMBL197729 | 0.82 | CFD (0.50) | ACHECFDHTTSMN1; SMN2KDM4E | |
| SCHEMBL2761803 | 0.81 | KDM4E (0.67) | CFDKDM4EALDH1A1TSHRPTGS1 | |
| SCHEMBL23712760 | 0.81 | ACHE (0.39) | ACHEHTTSMN1; SMN2PKMALDH1A1 | |
| SCHEMBL3654634 | 0.81 | CFD (0.49) | CFDKDM4EALDH1A1TSHRPTGS1 | |
| SCHEMBL3324155 | 0.80 | ACHE (0.62) | ACHEHTTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12755255 | 0.80 | ACHE (0.62) | ACHECFDHTTKDM4EALDH1A1 |
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-0712493-A4 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMA CORP (US) | 1997-01-15 | — | — | EP | disclosed |
| EP-0712493-A1 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMACEUTICALS CORPORATION (US) | 1996-05-22 | — | — | EP | disclosed |
| WO-1995004277-A1 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMACEUTICALS CORPORATION (US) | 1995-02-09 | — | — | WO | disclosed |