Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | NPY1R | P25929 | 1/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.50 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8889970 | 1.00 | ACACB (0.66) | ACACBALDH1A1NPY1RNPY5RCA12 | |
| SCHEMBL6786683 | 0.85 | ACACB (0.64) | ACACBALDH1A1CA12CA1CA2 | |
| SCHEMBL569947 | 0.84 | CA12 (0.65) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL569562 | 0.84 | CA12 (0.65) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL569559 | 0.83 | CA1 (0.65) | ACACBALDH1A1CA12CA1CA2 | |
| SCHEMBL6038379 | 0.82 | ALDH1A1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL5094941 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL23139879 | 0.82 | CA1 (0.55) | ACACBALDH1A1CA12CA1CA2 | |
| SCHEMBL29816853 | 0.82 | CA1 (0.55) | ACACBALDH1A1CA12CA1CA2 | |
| SCHEMBL29764347 | 0.81 | CA1 (0.56) | ALDH1A1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020821-A1 | HETEROARYL DERIVATIVES | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |