Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 6/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1832467 | 0.90 | ALDH1A1 (0.47) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1830674 | 0.88 | CA1 (0.43) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1830410 | 0.86 | ACACB (0.42) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1828716 | 0.86 | HDAC3 (0.49) | ACACBCYP19A1KDM4EALDH1A1GAA | |
| SCHEMBL1813933 | 0.86 | ACACB (0.45) | ACACBACACAHDAC3HDAC4HDAC1 | |
| SCHEMBL1828229 | 0.85 | CYP19A1 (0.46) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1829262 | 0.85 | CA1 (0.44) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1832752 | 0.84 | ACACB (0.50) | ACACBCYP19A1ACACA | |
| SCHEMBL1831980 | 0.83 | HTR2A (0.44) | CA1CA2CA7CA9ACACB | |
| SCHEMBL1830323 | 0.82 | ALDH1A1 (0.42) | CA1CA2CA7CA9ACACB |
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 |