Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20943617 | 0.84 | GLA (0.53) | CA12CA7CA9CA14CA1 | |
| SCHEMBL7135813 | 0.84 | THRB (0.61) | CA12CA7CA9CA14CA1 | |
| SCHEMBL20943616 | 0.84 | GLA (0.53) | CA12CA7CA9CA14CA1 | |
| SCHEMBL7135819 | 0.84 | THRB (0.61) | CA12CA7CA9CA14CA1 | |
| SCHEMBL2225734 | 0.80 | PTGS1 (0.54) | ESR1KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL8153855 | 0.80 | PTGS1 (0.54) | ESR1KDM4ENPC1ALDH1A1HPGD | |
| SCHEMBL451894 | 0.80 | HDAC8 (0.56) | CA12CA7CA9CA14CA1 | |
| SCHEMBL30259957 | 0.79 | TUBB1 (0.44) | CA12CA7CA9CA14CA1 | |
| SCHEMBL30839995 | 0.79 | CA12 (0.71) | CA12CA7CA9CA14CA1 | |
| SCHEMBL30839996 | 0.79 | CA12 (0.71) | CA12CA7CA9CA14CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6573387-B1 | Synthesis of α,β-substituted amino amides, esters, and acids | THE SCRIPPS RESEARCH INSTITUTE | 2003-06-03 | — | — | US | disclosed |
| WO-1998042657-A9 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | — | 1999-01-28 | — | — | WO | disclosed |
| WO-1998042657-A1 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-01 | — | — | WO | disclosed |