Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1831318 | 0.91 | CYP2C9 (0.45) | EPHX2CACNA1CCYP2C9CYP19A1HDAC3 | |
| SCHEMBL27190428 | 0.89 | CYP2C9 (0.45) | EPHX2CACNA1CCYP2C9CYP19A1ACACB | |
| SCHEMBL1830323 | 0.87 | ALDH1A1 (0.42) | CYP19A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1815677 | 0.86 | EPHX2 (0.56) | EPHX2CACNA1CCYP2C9EPHX1HDAC3 | |
| SCHEMBL1829759 | 0.84 | ACACB (0.41) | EPHX2CACNA1CCYP2C9CYP19A1HDAC3 | |
| SCHEMBL1828716 | 0.84 | HDAC3 (0.49) | CYP19A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1829262 | 0.83 | CA1 (0.44) | CYP19A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1828229 | 0.83 | CYP19A1 (0.46) | CYP19A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1832752 | 0.82 | ACACB (0.50) | CYP19A1ACACBACACA | |
| SCHEMBL1830435 | 0.82 | ACACB (0.47) | CYP19A1ACACBACACA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910375-B1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK SHARP & DOHME (US) | 2011-05-11 | — | — | EP | claimed |